USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 396 GLN : amide:sc= -1.29 K(o=-4,f=-6.5!) USER MOD Set 1.2: B 397 ASN : amide:sc= -2.7 K(o=-4,f=-5.4!) USER MOD Set 2.1: B 393 GLN : amide:sc= -0.208 K(o=-1.3,f=-7.6!) USER MOD Set 2.2: B 404 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 607 CYS SG : rot -55:sc= -0.596 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -161:sc= -3.21! (180deg=-3.63) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -131:sc= 0.379 (180deg=-1.12) USER MOD Single : A 617 GLN : amide:sc= 0.417 X(o=0.42,f=-0.052) USER MOD Single : A 619 SER OG : rot 180:sc= -0.157 USER MOD Single : A 623 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.5) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -147:sc= -0.214 (180deg=-0.802) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 638 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.1) USER MOD Single : A 639 SER OG : rot 180:sc= 0 USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 170:sc= -0.79 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 74:sc= 0.964 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot -2:sc= 0.77 USER MOD Single : B 395 SER OG : rot 180:sc= 0 USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -16.191 4.624 5.906 1.00 34.52 N ATOM 107 CA CYS A 607 -15.139 3.764 5.375 1.00 54.24 C ATOM 108 C CYS A 607 -15.734 2.546 4.675 1.00 0.13 C ATOM 109 O CYS A 607 -16.236 1.628 5.324 1.00 74.14 O ATOM 110 CB CYS A 607 -14.202 3.316 6.497 1.00 14.12 C ATOM 111 SG CYS A 607 -12.817 2.297 5.939 1.00 3.34 S ATOM 0 HA CYS A 607 -14.569 4.338 4.644 1.00 54.24 H new ATOM 0 HB2 CYS A 607 -13.809 4.199 7.002 1.00 14.12 H new ATOM 0 HB3 CYS A 607 -14.777 2.756 7.234 1.00 14.12 H new ATOM 0 HG CYS A 607 -13.270 1.275 5.276 1.00 3.34 H new ATOM 117 N LYS A 608 -15.675 2.545 3.348 1.00 51.21 N ATOM 118 CA LYS A 608 -16.208 1.441 2.559 1.00 64.13 C ATOM 119 C LYS A 608 -15.116 0.425 2.238 1.00 21.14 C ATOM 120 O LYS A 608 -13.924 0.732 2.257 1.00 2.13 O ATOM 121 CB LYS A 608 -16.827 1.966 1.261 1.00 3.24 C ATOM 122 CG LYS A 608 -18.229 2.522 1.438 1.00 33.42 C ATOM 123 CD LYS A 608 -18.222 4.039 1.525 1.00 64.41 C ATOM 124 CE LYS A 608 -19.491 4.566 2.175 1.00 54.21 C ATOM 125 NZ LYS A 608 -20.628 4.615 1.214 1.00 62.43 N ATOM 0 H LYS A 608 -15.263 3.297 2.796 1.00 51.21 H new ATOM 0 HA LYS A 608 -16.980 0.946 3.148 1.00 64.13 H new ATOM 0 HB2 LYS A 608 -16.185 2.746 0.851 1.00 3.24 H new ATOM 0 HB3 LYS A 608 -16.855 1.159 0.529 1.00 3.24 H new ATOM 0 HG2 LYS A 608 -18.854 2.208 0.602 1.00 33.42 H new ATOM 0 HG3 LYS A 608 -18.674 2.107 2.342 1.00 33.42 H new ATOM 0 HD2 LYS A 608 -17.355 4.368 2.098 1.00 64.41 H new ATOM 0 HD3 LYS A 608 -18.122 4.461 0.525 1.00 64.41 H new ATOM 0 HE2 LYS A 608 -19.757 3.931 3.020 1.00 54.21 H new ATOM 0 HE3 LYS A 608 -19.308 5.564 2.572 1.00 54.21 H new ATOM 0 HZ1 LYS A 608 -21.474 4.980 1.696 1.00 62.43 H new ATOM 0 HZ2 LYS A 608 -20.385 5.241 0.420 1.00 62.43 H new ATOM 0 HZ3 LYS A 608 -20.820 3.658 0.854 1.00 62.43 H new ATOM 139 N PRO A 609 -15.530 -0.814 1.936 1.00 70.44 N ATOM 140 CA PRO A 609 -14.603 -1.900 1.603 1.00 5.23 C ATOM 141 C PRO A 609 -13.925 -1.691 0.253 1.00 12.42 C ATOM 142 O PRO A 609 -14.431 -0.961 -0.599 1.00 72.20 O ATOM 143 CB PRO A 609 -15.504 -3.137 1.564 1.00 44.44 C ATOM 144 CG PRO A 609 -16.860 -2.607 1.248 1.00 21.21 C ATOM 145 CD PRO A 609 -16.936 -1.251 1.894 1.00 64.33 C ATOM 0 HA PRO A 609 -13.787 -1.973 2.322 1.00 5.23 H new ATOM 0 HB2 PRO A 609 -15.170 -3.847 0.807 1.00 44.44 H new ATOM 0 HB3 PRO A 609 -15.497 -3.663 2.519 1.00 44.44 H new ATOM 0 HG2 PRO A 609 -17.009 -2.535 0.171 1.00 21.21 H new ATOM 0 HG3 PRO A 609 -17.637 -3.267 1.634 1.00 21.21 H new ATOM 0 HD2 PRO A 609 -17.553 -0.564 1.315 1.00 64.33 H new ATOM 0 HD3 PRO A 609 -17.370 -1.305 2.892 1.00 64.33 H new ATOM 153 N MET A 610 -12.778 -2.336 0.065 1.00 14.44 N ATOM 154 CA MET A 610 -12.033 -2.221 -1.183 1.00 11.33 C ATOM 155 C MET A 610 -11.937 -3.572 -1.885 1.00 10.52 C ATOM 156 O MET A 610 -11.408 -4.534 -1.329 1.00 61.13 O ATOM 157 CB MET A 610 -10.631 -1.671 -0.915 1.00 44.14 C ATOM 158 CG MET A 610 -10.630 -0.329 -0.202 1.00 1.15 C ATOM 159 SD MET A 610 -10.439 1.060 -1.335 1.00 1.53 S ATOM 160 CE MET A 610 -8.792 0.755 -1.970 1.00 13.40 C ATOM 0 H MET A 610 -12.345 -2.943 0.761 1.00 14.44 H new ATOM 0 HA MET A 610 -12.568 -1.530 -1.835 1.00 11.33 H new ATOM 0 HB2 MET A 610 -10.075 -2.392 -0.315 1.00 44.14 H new ATOM 0 HB3 MET A 610 -10.102 -1.570 -1.863 1.00 44.14 H new ATOM 0 HG2 MET A 610 -11.562 -0.216 0.352 1.00 1.15 H new ATOM 0 HG3 MET A 610 -9.821 -0.311 0.528 1.00 1.15 H new ATOM 0 HE1 MET A 610 -8.395 1.671 -2.407 1.00 13.40 H new ATOM 0 HE2 MET A 610 -8.143 0.430 -1.157 1.00 13.40 H new ATOM 0 HE3 MET A 610 -8.834 -0.022 -2.733 1.00 13.40 H new ATOM 170 N SER A 611 -12.452 -3.636 -3.108 1.00 53.54 N ATOM 171 CA SER A 611 -12.428 -4.870 -3.884 1.00 50.25 C ATOM 172 C SER A 611 -11.064 -5.075 -4.536 1.00 23.44 C ATOM 173 O SER A 611 -10.373 -4.113 -4.872 1.00 25.51 O ATOM 174 CB SER A 611 -13.519 -4.844 -4.957 1.00 21.52 C ATOM 175 OG SER A 611 -14.292 -6.031 -4.926 1.00 35.44 O ATOM 0 H SER A 611 -12.891 -2.848 -3.583 1.00 53.54 H new ATOM 0 HA SER A 611 -12.616 -5.701 -3.204 1.00 50.25 H new ATOM 0 HB2 SER A 611 -14.166 -3.981 -4.802 1.00 21.52 H new ATOM 0 HB3 SER A 611 -13.064 -4.728 -5.941 1.00 21.52 H new ATOM 0 HG SER A 611 -14.983 -5.989 -5.620 1.00 35.44 H new ATOM 181 N TYR A 612 -10.683 -6.336 -4.710 1.00 44.22 N ATOM 182 CA TYR A 612 -9.400 -6.669 -5.319 1.00 32.35 C ATOM 183 C TYR A 612 -9.217 -5.932 -6.642 1.00 22.33 C ATOM 184 O TYR A 612 -8.102 -5.563 -7.009 1.00 61.42 O ATOM 185 CB TYR A 612 -9.296 -8.179 -5.544 1.00 51.40 C ATOM 186 CG TYR A 612 -10.538 -8.787 -6.155 1.00 53.30 C ATOM 187 CD1 TYR A 612 -10.761 -8.731 -7.525 1.00 73.22 C ATOM 188 CD2 TYR A 612 -11.489 -9.418 -5.362 1.00 3.23 C ATOM 189 CE1 TYR A 612 -11.895 -9.285 -8.087 1.00 52.34 C ATOM 190 CE2 TYR A 612 -12.625 -9.976 -5.915 1.00 41.55 C ATOM 191 CZ TYR A 612 -12.824 -9.906 -7.279 1.00 1.14 C ATOM 192 OH TYR A 612 -13.954 -10.460 -7.835 1.00 10.21 O ATOM 0 H TYR A 612 -11.244 -7.144 -4.438 1.00 44.22 H new ATOM 0 HA TYR A 612 -8.610 -6.354 -4.637 1.00 32.35 H new ATOM 0 HB2 TYR A 612 -8.445 -8.383 -6.193 1.00 51.40 H new ATOM 0 HB3 TYR A 612 -9.094 -8.667 -4.590 1.00 51.40 H new ATOM 0 HD1 TYR A 612 -10.036 -8.246 -8.162 1.00 73.22 H new ATOM 0 HD2 TYR A 612 -11.337 -9.473 -4.294 1.00 3.23 H new ATOM 0 HE1 TYR A 612 -12.053 -9.232 -9.154 1.00 52.34 H new ATOM 0 HE2 TYR A 612 -13.353 -10.464 -5.284 1.00 41.55 H new ATOM 0 HH TYR A 612 -14.504 -10.859 -7.129 1.00 10.21 H new ATOM 202 N GLU A 613 -10.321 -5.721 -7.352 1.00 65.30 N ATOM 203 CA GLU A 613 -10.282 -5.028 -8.635 1.00 21.55 C ATOM 204 C GLU A 613 -9.528 -3.707 -8.517 1.00 24.24 C ATOM 205 O GLU A 613 -8.508 -3.503 -9.175 1.00 11.44 O ATOM 206 CB GLU A 613 -11.702 -4.774 -9.145 1.00 2.13 C ATOM 207 CG GLU A 613 -12.184 -5.810 -10.146 1.00 63.02 C ATOM 208 CD GLU A 613 -13.476 -5.405 -10.828 1.00 33.50 C ATOM 209 OE1 GLU A 613 -13.899 -4.243 -10.657 1.00 35.31 O ATOM 210 OE2 GLU A 613 -14.064 -6.252 -11.533 1.00 75.11 O ATOM 0 H GLU A 613 -11.252 -6.019 -7.061 1.00 65.30 H new ATOM 0 HA GLU A 613 -9.756 -5.664 -9.347 1.00 21.55 H new ATOM 0 HB2 GLU A 613 -12.386 -4.756 -8.296 1.00 2.13 H new ATOM 0 HB3 GLU A 613 -11.742 -3.788 -9.608 1.00 2.13 H new ATOM 0 HG2 GLU A 613 -11.413 -5.967 -10.900 1.00 63.02 H new ATOM 0 HG3 GLU A 613 -12.330 -6.762 -9.636 1.00 63.02 H new ATOM 217 N GLU A 614 -10.038 -2.814 -7.674 1.00 25.41 N ATOM 218 CA GLU A 614 -9.413 -1.513 -7.471 1.00 42.41 C ATOM 219 C GLU A 614 -8.011 -1.667 -6.888 1.00 40.31 C ATOM 220 O GLU A 614 -7.056 -1.053 -7.365 1.00 54.33 O ATOM 221 CB GLU A 614 -10.271 -0.649 -6.544 1.00 24.44 C ATOM 222 CG GLU A 614 -11.616 -0.268 -7.139 1.00 5.43 C ATOM 223 CD GLU A 614 -11.600 1.105 -7.784 1.00 24.41 C ATOM 224 OE1 GLU A 614 -11.633 2.109 -7.042 1.00 33.30 O ATOM 225 OE2 GLU A 614 -11.554 1.175 -9.030 1.00 22.52 O ATOM 0 H GLU A 614 -10.881 -2.968 -7.121 1.00 25.41 H new ATOM 0 HA GLU A 614 -9.332 -1.023 -8.441 1.00 42.41 H new ATOM 0 HB2 GLU A 614 -10.436 -1.186 -5.610 1.00 24.44 H new ATOM 0 HB3 GLU A 614 -9.722 0.260 -6.297 1.00 24.44 H new ATOM 0 HG2 GLU A 614 -11.904 -1.011 -7.882 1.00 5.43 H new ATOM 0 HG3 GLU A 614 -12.375 -0.289 -6.357 1.00 5.43 H new ATOM 232 N LYS A 615 -7.895 -2.491 -5.852 1.00 43.14 N ATOM 233 CA LYS A 615 -6.611 -2.728 -5.203 1.00 10.10 C ATOM 234 C LYS A 615 -5.549 -3.123 -6.224 1.00 52.34 C ATOM 235 O LYS A 615 -4.398 -2.696 -6.133 1.00 50.15 O ATOM 236 CB LYS A 615 -6.747 -3.824 -4.143 1.00 41.34 C ATOM 237 CG LYS A 615 -7.452 -3.364 -2.879 1.00 54.54 C ATOM 238 CD LYS A 615 -8.531 -4.345 -2.454 1.00 32.30 C ATOM 239 CE LYS A 615 -8.004 -5.347 -1.437 1.00 53.55 C ATOM 240 NZ LYS A 615 -9.034 -5.699 -0.421 1.00 61.21 N ATOM 0 H LYS A 615 -8.675 -3.006 -5.444 1.00 43.14 H new ATOM 0 HA LYS A 615 -6.299 -1.801 -4.721 1.00 10.10 H new ATOM 0 HB2 LYS A 615 -7.295 -4.664 -4.569 1.00 41.34 H new ATOM 0 HB3 LYS A 615 -5.754 -4.191 -3.882 1.00 41.34 H new ATOM 0 HG2 LYS A 615 -6.724 -3.252 -2.076 1.00 54.54 H new ATOM 0 HG3 LYS A 615 -7.896 -2.383 -3.046 1.00 54.54 H new ATOM 0 HD2 LYS A 615 -9.372 -3.800 -2.027 1.00 32.30 H new ATOM 0 HD3 LYS A 615 -8.907 -4.876 -3.329 1.00 32.30 H new ATOM 0 HE2 LYS A 615 -7.678 -6.251 -1.952 1.00 53.55 H new ATOM 0 HE3 LYS A 615 -7.128 -4.932 -0.938 1.00 53.55 H new ATOM 0 HZ1 LYS A 615 -8.624 -5.619 0.531 1.00 61.21 H new ATOM 0 HZ2 LYS A 615 -9.841 -5.049 -0.506 1.00 61.21 H new ATOM 0 HZ3 LYS A 615 -9.357 -6.675 -0.578 1.00 61.21 H new ATOM 254 N ARG A 616 -5.944 -3.938 -7.196 1.00 60.55 N ATOM 255 CA ARG A 616 -5.026 -4.390 -8.235 1.00 42.00 C ATOM 256 C ARG A 616 -4.375 -3.203 -8.939 1.00 52.12 C ATOM 257 O ARG A 616 -3.155 -3.046 -8.912 1.00 21.30 O ATOM 258 CB ARG A 616 -5.763 -5.260 -9.255 1.00 14.24 C ATOM 259 CG ARG A 616 -5.299 -6.707 -9.270 1.00 2.10 C ATOM 260 CD ARG A 616 -4.860 -7.137 -10.661 1.00 53.53 C ATOM 261 NE ARG A 616 -4.383 -8.517 -10.683 1.00 54.31 N ATOM 262 CZ ARG A 616 -3.906 -9.112 -11.770 1.00 61.22 C ATOM 263 NH1 ARG A 616 -3.842 -8.451 -12.918 1.00 24.51 N ATOM 264 NH2 ARG A 616 -3.491 -10.371 -11.711 1.00 21.15 N ATOM 0 H ARG A 616 -6.894 -4.299 -7.286 1.00 60.55 H new ATOM 0 HA ARG A 616 -4.244 -4.983 -7.760 1.00 42.00 H new ATOM 0 HB2 ARG A 616 -6.831 -5.232 -9.039 1.00 14.24 H new ATOM 0 HB3 ARG A 616 -5.627 -4.834 -10.249 1.00 14.24 H new ATOM 0 HG2 ARG A 616 -4.472 -6.832 -8.571 1.00 2.10 H new ATOM 0 HG3 ARG A 616 -6.107 -7.353 -8.926 1.00 2.10 H new ATOM 0 HD2 ARG A 616 -5.695 -7.031 -11.353 1.00 53.53 H new ATOM 0 HD3 ARG A 616 -4.069 -6.475 -11.012 1.00 53.53 H new ATOM 0 HE ARG A 616 -4.418 -9.053 -9.816 1.00 54.31 H new ATOM 0 HH11 ARG A 616 -4.160 -7.483 -12.968 1.00 24.51 H new ATOM 0 HH12 ARG A 616 -3.475 -8.911 -13.751 1.00 24.51 H new ATOM 0 HH21 ARG A 616 -3.538 -10.883 -10.830 1.00 21.15 H new ATOM 0 HH22 ARG A 616 -3.125 -10.827 -12.547 1.00 21.15 H new ATOM 278 N GLN A 617 -5.199 -2.371 -9.569 1.00 3.03 N ATOM 279 CA GLN A 617 -4.703 -1.199 -10.281 1.00 22.22 C ATOM 280 C GLN A 617 -3.897 -0.298 -9.351 1.00 63.02 C ATOM 281 O GLN A 617 -3.051 0.477 -9.800 1.00 23.30 O ATOM 282 CB GLN A 617 -5.867 -0.415 -10.888 1.00 51.40 C ATOM 283 CG GLN A 617 -5.430 0.805 -11.684 1.00 22.51 C ATOM 284 CD GLN A 617 -4.551 0.445 -12.866 1.00 2.43 C ATOM 285 OE1 GLN A 617 -5.045 0.104 -13.940 1.00 71.45 O ATOM 286 NE2 GLN A 617 -3.239 0.521 -12.673 1.00 52.30 N ATOM 0 H GLN A 617 -6.212 -2.487 -9.601 1.00 3.03 H new ATOM 0 HA GLN A 617 -4.048 -1.542 -11.082 1.00 22.22 H new ATOM 0 HB2 GLN A 617 -6.440 -1.076 -11.538 1.00 51.40 H new ATOM 0 HB3 GLN A 617 -6.536 -0.096 -10.088 1.00 51.40 H new ATOM 0 HG2 GLN A 617 -6.312 1.337 -12.040 1.00 22.51 H new ATOM 0 HG3 GLN A 617 -4.889 1.488 -11.028 1.00 22.51 H new ATOM 0 HE21 GLN A 617 -2.873 0.809 -11.765 1.00 52.30 H new ATOM 0 HE22 GLN A 617 -2.598 0.292 -13.432 1.00 52.30 H new ATOM 295 N LEU A 618 -4.164 -0.404 -8.054 1.00 53.24 N ATOM 296 CA LEU A 618 -3.464 0.402 -7.060 1.00 42.24 C ATOM 297 C LEU A 618 -2.066 -0.149 -6.799 1.00 62.15 C ATOM 298 O LEU A 618 -1.091 0.601 -6.754 1.00 65.43 O ATOM 299 CB LEU A 618 -4.260 0.443 -5.755 1.00 72.00 C ATOM 300 CG LEU A 618 -5.275 1.579 -5.623 1.00 4.51 C ATOM 301 CD1 LEU A 618 -5.873 1.921 -6.979 1.00 11.14 C ATOM 302 CD2 LEU A 618 -6.369 1.205 -4.634 1.00 1.32 C ATOM 0 H LEU A 618 -4.860 -1.040 -7.666 1.00 53.24 H new ATOM 0 HA LEU A 618 -3.368 1.415 -7.452 1.00 42.24 H new ATOM 0 HB2 LEU A 618 -4.788 -0.504 -5.645 1.00 72.00 H new ATOM 0 HB3 LEU A 618 -3.556 0.513 -4.926 1.00 72.00 H new ATOM 0 HG LEU A 618 -4.757 2.461 -5.245 1.00 4.51 H new ATOM 0 HD11 LEU A 618 -6.593 2.731 -6.865 1.00 11.14 H new ATOM 0 HD12 LEU A 618 -5.080 2.233 -7.658 1.00 11.14 H new ATOM 0 HD13 LEU A 618 -6.375 1.044 -7.387 1.00 11.14 H new ATOM 0 HD21 LEU A 618 -7.082 2.025 -4.553 1.00 1.32 H new ATOM 0 HD22 LEU A 618 -6.884 0.310 -4.982 1.00 1.32 H new ATOM 0 HD23 LEU A 618 -5.926 1.012 -3.657 1.00 1.32 H new ATOM 314 N SER A 619 -1.976 -1.464 -6.630 1.00 61.45 N ATOM 315 CA SER A 619 -0.697 -2.116 -6.373 1.00 32.44 C ATOM 316 C SER A 619 0.341 -1.707 -7.413 1.00 11.21 C ATOM 317 O SER A 619 1.480 -1.381 -7.076 1.00 11.33 O ATOM 318 CB SER A 619 -0.866 -3.637 -6.375 1.00 53.15 C ATOM 319 OG SER A 619 -0.298 -4.211 -7.540 1.00 14.00 O ATOM 0 H SER A 619 -2.773 -2.099 -6.666 1.00 61.45 H new ATOM 0 HA SER A 619 -0.346 -1.798 -5.391 1.00 32.44 H new ATOM 0 HB2 SER A 619 -0.392 -4.060 -5.489 1.00 53.15 H new ATOM 0 HB3 SER A 619 -1.925 -3.889 -6.321 1.00 53.15 H new ATOM 0 HG SER A 619 -0.417 -5.183 -7.517 1.00 14.00 H new ATOM 325 N LEU A 620 -0.060 -1.726 -8.679 1.00 73.11 N ATOM 326 CA LEU A 620 0.834 -1.357 -9.771 1.00 1.12 C ATOM 327 C LEU A 620 1.126 0.140 -9.753 1.00 4.03 C ATOM 328 O LEU A 620 2.281 0.558 -9.837 1.00 43.24 O ATOM 329 CB LEU A 620 0.220 -1.752 -11.115 1.00 42.11 C ATOM 330 CG LEU A 620 0.943 -1.237 -12.360 1.00 51.13 C ATOM 331 CD1 LEU A 620 2.249 -1.988 -12.568 1.00 50.32 C ATOM 332 CD2 LEU A 620 0.051 -1.366 -13.586 1.00 54.53 C ATOM 0 H LEU A 620 -0.999 -1.993 -8.975 1.00 73.11 H new ATOM 0 HA LEU A 620 1.773 -1.894 -9.636 1.00 1.12 H new ATOM 0 HB2 LEU A 620 0.179 -2.840 -11.167 1.00 42.11 H new ATOM 0 HB3 LEU A 620 -0.809 -1.392 -11.142 1.00 42.11 H new ATOM 0 HG LEU A 620 1.174 -0.182 -12.212 1.00 51.13 H new ATOM 0 HD11 LEU A 620 2.749 -1.608 -13.459 1.00 50.32 H new ATOM 0 HD12 LEU A 620 2.893 -1.845 -11.701 1.00 50.32 H new ATOM 0 HD13 LEU A 620 2.042 -3.051 -12.694 1.00 50.32 H new ATOM 0 HD21 LEU A 620 0.582 -0.995 -14.463 1.00 54.53 H new ATOM 0 HD22 LEU A 620 -0.211 -2.413 -13.737 1.00 54.53 H new ATOM 0 HD23 LEU A 620 -0.858 -0.782 -13.438 1.00 54.53 H new ATOM 344 N ASP A 621 0.073 0.942 -9.640 1.00 23.24 N ATOM 345 CA ASP A 621 0.217 2.393 -9.607 1.00 30.34 C ATOM 346 C ASP A 621 1.223 2.815 -8.540 1.00 54.11 C ATOM 347 O ASP A 621 2.202 3.502 -8.834 1.00 33.32 O ATOM 348 CB ASP A 621 -1.136 3.055 -9.340 1.00 61.54 C ATOM 349 CG ASP A 621 -2.013 3.096 -10.576 1.00 52.41 C ATOM 350 OD1 ASP A 621 -1.563 2.621 -11.639 1.00 70.31 O ATOM 351 OD2 ASP A 621 -3.150 3.606 -10.480 1.00 63.34 O ATOM 0 H ASP A 621 -0.890 0.612 -9.570 1.00 23.24 H new ATOM 0 HA ASP A 621 0.587 2.719 -10.579 1.00 30.34 H new ATOM 0 HB2 ASP A 621 -1.653 2.512 -8.549 1.00 61.54 H new ATOM 0 HB3 ASP A 621 -0.975 4.070 -8.978 1.00 61.54 H new ATOM 356 N ILE A 622 0.973 2.401 -7.302 1.00 44.33 N ATOM 357 CA ILE A 622 1.857 2.737 -6.193 1.00 10.02 C ATOM 358 C ILE A 622 3.304 2.380 -6.515 1.00 20.31 C ATOM 359 O ILE A 622 4.231 3.083 -6.116 1.00 21.01 O ATOM 360 CB ILE A 622 1.437 2.013 -4.900 1.00 11.42 C ATOM 361 CG1 ILE A 622 0.032 2.450 -4.478 1.00 44.13 C ATOM 362 CG2 ILE A 622 2.439 2.290 -3.789 1.00 20.52 C ATOM 363 CD1 ILE A 622 -0.555 1.607 -3.368 1.00 3.31 C ATOM 0 H ILE A 622 0.167 1.833 -7.042 1.00 44.33 H new ATOM 0 HA ILE A 622 1.777 3.813 -6.040 1.00 10.02 H new ATOM 0 HB ILE A 622 1.422 0.940 -5.090 1.00 11.42 H new ATOM 0 HG12 ILE A 622 0.066 3.490 -4.154 1.00 44.13 H new ATOM 0 HG13 ILE A 622 -0.629 2.407 -5.344 1.00 44.13 H new ATOM 0 HG21 ILE A 622 2.129 1.772 -2.882 1.00 20.52 H new ATOM 0 HG22 ILE A 622 3.424 1.935 -4.091 1.00 20.52 H new ATOM 0 HG23 ILE A 622 2.483 3.362 -3.597 1.00 20.52 H new ATOM 0 HD11 ILE A 622 -1.551 1.974 -3.121 1.00 3.31 H new ATOM 0 HD12 ILE A 622 -0.621 0.569 -3.695 1.00 3.31 H new ATOM 0 HD13 ILE A 622 0.084 1.669 -2.487 1.00 3.31 H new ATOM 375 N ASN A 623 3.489 1.282 -7.241 1.00 41.12 N ATOM 376 CA ASN A 623 4.824 0.832 -7.619 1.00 32.53 C ATOM 377 C ASN A 623 5.420 1.736 -8.693 1.00 53.02 C ATOM 378 O ASN A 623 6.630 1.956 -8.734 1.00 65.45 O ATOM 379 CB ASN A 623 4.774 -0.613 -8.122 1.00 11.51 C ATOM 380 CG ASN A 623 6.142 -1.267 -8.137 1.00 72.10 C ATOM 381 OD1 ASN A 623 7.134 -0.667 -7.724 1.00 1.11 O ATOM 382 ND2 ASN A 623 6.200 -2.505 -8.615 1.00 40.42 N ATOM 0 H ASN A 623 2.732 0.688 -7.579 1.00 41.12 H new ATOM 0 HA ASN A 623 5.460 0.881 -6.735 1.00 32.53 H new ATOM 0 HB2 ASN A 623 4.104 -1.193 -7.487 1.00 11.51 H new ATOM 0 HB3 ASN A 623 4.355 -0.630 -9.128 1.00 11.51 H new ATOM 0 HD21 ASN A 623 7.093 -2.997 -8.650 1.00 40.42 H new ATOM 0 HD22 ASN A 623 5.352 -2.964 -8.947 1.00 40.42 H new ATOM 389 N LYS A 624 4.561 2.259 -9.561 1.00 53.15 N ATOM 390 CA LYS A 624 5.000 3.142 -10.636 1.00 32.32 C ATOM 391 C LYS A 624 5.482 4.478 -10.080 1.00 32.34 C ATOM 392 O LYS A 624 6.340 5.135 -10.671 1.00 21.54 O ATOM 393 CB LYS A 624 3.861 3.373 -11.632 1.00 31.35 C ATOM 394 CG LYS A 624 4.324 3.461 -13.075 1.00 50.44 C ATOM 395 CD LYS A 624 3.200 3.129 -14.043 1.00 2.33 C ATOM 396 CE LYS A 624 3.029 4.217 -15.092 1.00 75.11 C ATOM 397 NZ LYS A 624 2.848 3.648 -16.456 1.00 72.23 N ATOM 0 H LYS A 624 3.556 2.087 -9.541 1.00 53.15 H new ATOM 0 HA LYS A 624 5.832 2.661 -11.150 1.00 32.32 H new ATOM 0 HB2 LYS A 624 3.139 2.562 -11.540 1.00 31.35 H new ATOM 0 HB3 LYS A 624 3.341 4.294 -11.369 1.00 31.35 H new ATOM 0 HG2 LYS A 624 4.696 4.465 -13.278 1.00 50.44 H new ATOM 0 HG3 LYS A 624 5.156 2.775 -13.233 1.00 50.44 H new ATOM 0 HD2 LYS A 624 3.410 2.179 -14.534 1.00 2.33 H new ATOM 0 HD3 LYS A 624 2.268 3.004 -13.491 1.00 2.33 H new ATOM 0 HE2 LYS A 624 2.167 4.834 -14.838 1.00 75.11 H new ATOM 0 HE3 LYS A 624 3.902 4.870 -15.084 1.00 75.11 H new ATOM 0 HZ1 LYS A 624 2.735 4.421 -17.142 1.00 72.23 H new ATOM 0 HZ2 LYS A 624 3.682 3.080 -16.709 1.00 72.23 H new ATOM 0 HZ3 LYS A 624 2.001 3.045 -16.471 1.00 72.23 H new ATOM 411 N LEU A 625 4.926 4.874 -8.940 1.00 21.11 N ATOM 412 CA LEU A 625 5.301 6.132 -8.303 1.00 33.43 C ATOM 413 C LEU A 625 6.796 6.167 -8.005 1.00 43.01 C ATOM 414 O LEU A 625 7.447 5.134 -7.846 1.00 1.11 O ATOM 415 CB LEU A 625 4.507 6.327 -7.010 1.00 0.13 C ATOM 416 CG LEU A 625 3.005 6.052 -7.096 1.00 24.33 C ATOM 417 CD1 LEU A 625 2.309 6.488 -5.816 1.00 54.03 C ATOM 418 CD2 LEU A 625 2.402 6.757 -8.301 1.00 51.52 C ATOM 0 H LEU A 625 4.215 4.343 -8.438 1.00 21.11 H new ATOM 0 HA LEU A 625 5.068 6.944 -8.992 1.00 33.43 H new ATOM 0 HB2 LEU A 625 4.932 5.677 -6.245 1.00 0.13 H new ATOM 0 HB3 LEU A 625 4.649 7.353 -6.671 1.00 0.13 H new ATOM 0 HG LEU A 625 2.857 4.979 -7.218 1.00 24.33 H new ATOM 0 HD11 LEU A 625 1.241 6.285 -5.895 1.00 54.03 H new ATOM 0 HD12 LEU A 625 2.722 5.936 -4.971 1.00 54.03 H new ATOM 0 HD13 LEU A 625 2.465 7.556 -5.663 1.00 54.03 H new ATOM 0 HD21 LEU A 625 1.333 6.550 -8.346 1.00 51.52 H new ATOM 0 HD22 LEU A 625 2.560 7.832 -8.211 1.00 51.52 H new ATOM 0 HD23 LEU A 625 2.880 6.395 -9.211 1.00 51.52 H new ATOM 430 N PRO A 626 7.355 7.384 -7.926 1.00 24.43 N ATOM 431 CA PRO A 626 8.780 7.583 -7.644 1.00 1.22 C ATOM 432 C PRO A 626 9.144 7.215 -6.210 1.00 24.53 C ATOM 433 O PRO A 626 8.271 7.062 -5.357 1.00 21.23 O ATOM 434 CB PRO A 626 8.981 9.082 -7.878 1.00 44.41 C ATOM 435 CG PRO A 626 7.639 9.685 -7.648 1.00 53.44 C ATOM 436 CD PRO A 626 6.640 8.658 -8.105 1.00 12.15 C ATOM 0 HA PRO A 626 9.411 6.951 -8.269 1.00 1.22 H new ATOM 0 HB2 PRO A 626 9.722 9.494 -7.193 1.00 44.41 H new ATOM 0 HB3 PRO A 626 9.336 9.281 -8.889 1.00 44.41 H new ATOM 0 HG2 PRO A 626 7.495 9.928 -6.595 1.00 53.44 H new ATOM 0 HG3 PRO A 626 7.527 10.614 -8.207 1.00 53.44 H new ATOM 0 HD2 PRO A 626 5.727 8.693 -7.511 1.00 12.15 H new ATOM 0 HD3 PRO A 626 6.350 8.814 -9.144 1.00 12.15 H new ATOM 444 N GLY A 627 10.441 7.073 -5.951 1.00 10.33 N ATOM 445 CA GLY A 627 10.898 6.724 -4.618 1.00 55.02 C ATOM 446 C GLY A 627 10.274 7.594 -3.545 1.00 42.31 C ATOM 447 O GLY A 627 9.653 7.089 -2.611 1.00 21.41 O ATOM 0 H GLY A 627 11.183 7.193 -6.640 1.00 10.33 H new ATOM 0 HA2 GLY A 627 10.661 5.679 -4.418 1.00 55.02 H new ATOM 0 HA3 GLY A 627 11.983 6.819 -4.573 1.00 55.02 H new ATOM 451 N GLU A 628 10.442 8.906 -3.678 1.00 54.40 N ATOM 452 CA GLU A 628 9.892 9.848 -2.710 1.00 21.14 C ATOM 453 C GLU A 628 8.414 9.568 -2.457 1.00 35.52 C ATOM 454 O GLU A 628 7.933 9.676 -1.328 1.00 61.53 O ATOM 455 CB GLU A 628 10.073 11.285 -3.203 1.00 31.02 C ATOM 456 CG GLU A 628 9.346 12.315 -2.355 1.00 51.43 C ATOM 457 CD GLU A 628 9.837 12.343 -0.921 1.00 21.40 C ATOM 458 OE1 GLU A 628 10.927 12.900 -0.677 1.00 44.11 O ATOM 459 OE2 GLU A 628 9.130 11.806 -0.042 1.00 41.02 O ATOM 0 H GLU A 628 10.954 9.340 -4.446 1.00 54.40 H new ATOM 0 HA GLU A 628 10.433 9.723 -1.772 1.00 21.14 H new ATOM 0 HB2 GLU A 628 11.136 11.524 -3.218 1.00 31.02 H new ATOM 0 HB3 GLU A 628 9.716 11.355 -4.231 1.00 31.02 H new ATOM 0 HG2 GLU A 628 9.476 13.302 -2.799 1.00 51.43 H new ATOM 0 HG3 GLU A 628 8.278 12.099 -2.365 1.00 51.43 H new ATOM 466 N LYS A 629 7.696 9.207 -3.516 1.00 3.43 N ATOM 467 CA LYS A 629 6.273 8.910 -3.411 1.00 54.41 C ATOM 468 C LYS A 629 6.040 7.641 -2.598 1.00 70.23 C ATOM 469 O LYS A 629 5.061 7.536 -1.858 1.00 73.24 O ATOM 470 CB LYS A 629 5.659 8.756 -4.805 1.00 1.24 C ATOM 471 CG LYS A 629 5.041 10.035 -5.342 1.00 42.31 C ATOM 472 CD LYS A 629 3.555 9.867 -5.611 1.00 62.40 C ATOM 473 CE LYS A 629 3.263 9.801 -7.102 1.00 73.12 C ATOM 474 NZ LYS A 629 3.717 11.029 -7.811 1.00 55.31 N ATOM 0 H LYS A 629 8.077 9.113 -4.457 1.00 3.43 H new ATOM 0 HA LYS A 629 5.791 9.742 -2.898 1.00 54.41 H new ATOM 0 HB2 LYS A 629 6.430 8.417 -5.497 1.00 1.24 H new ATOM 0 HB3 LYS A 629 4.895 7.979 -4.773 1.00 1.24 H new ATOM 0 HG2 LYS A 629 5.193 10.842 -4.625 1.00 42.31 H new ATOM 0 HG3 LYS A 629 5.547 10.326 -6.262 1.00 42.31 H new ATOM 0 HD2 LYS A 629 3.197 8.957 -5.128 1.00 62.40 H new ATOM 0 HD3 LYS A 629 3.008 10.699 -5.168 1.00 62.40 H new ATOM 0 HE2 LYS A 629 3.758 8.930 -7.531 1.00 73.12 H new ATOM 0 HE3 LYS A 629 2.192 9.667 -7.257 1.00 73.12 H new ATOM 0 HZ1 LYS A 629 3.075 11.229 -8.604 1.00 55.31 H new ATOM 0 HZ2 LYS A 629 3.713 11.833 -7.151 1.00 55.31 H new ATOM 0 HZ3 LYS A 629 4.681 10.884 -8.174 1.00 55.31 H new ATOM 488 N LEU A 630 6.946 6.679 -2.739 1.00 51.50 N ATOM 489 CA LEU A 630 6.840 5.417 -2.016 1.00 61.32 C ATOM 490 C LEU A 630 6.986 5.635 -0.514 1.00 3.42 C ATOM 491 O LEU A 630 6.194 5.127 0.278 1.00 54.11 O ATOM 492 CB LEU A 630 7.906 4.435 -2.506 1.00 50.13 C ATOM 493 CG LEU A 630 7.397 3.073 -2.980 1.00 2.03 C ATOM 494 CD1 LEU A 630 8.550 2.216 -3.478 1.00 45.22 C ATOM 495 CD2 LEU A 630 6.649 2.365 -1.860 1.00 21.52 C ATOM 0 H LEU A 630 7.762 6.749 -3.347 1.00 51.50 H new ATOM 0 HA LEU A 630 5.852 4.999 -2.209 1.00 61.32 H new ATOM 0 HB2 LEU A 630 8.452 4.902 -3.326 1.00 50.13 H new ATOM 0 HB3 LEU A 630 8.620 4.273 -1.699 1.00 50.13 H new ATOM 0 HG LEU A 630 6.706 3.232 -3.808 1.00 2.03 H new ATOM 0 HD11 LEU A 630 8.169 1.251 -3.811 1.00 45.22 H new ATOM 0 HD12 LEU A 630 9.043 2.718 -4.310 1.00 45.22 H new ATOM 0 HD13 LEU A 630 9.266 2.064 -2.670 1.00 45.22 H new ATOM 0 HD21 LEU A 630 6.294 1.397 -2.215 1.00 21.52 H new ATOM 0 HD22 LEU A 630 7.318 2.217 -1.012 1.00 21.52 H new ATOM 0 HD23 LEU A 630 5.799 2.972 -1.550 1.00 21.52 H new ATOM 507 N GLY A 631 8.005 6.398 -0.128 1.00 62.20 N ATOM 508 CA GLY A 631 8.235 6.672 1.278 1.00 4.42 C ATOM 509 C GLY A 631 6.992 7.181 1.981 1.00 62.22 C ATOM 510 O GLY A 631 6.715 6.801 3.119 1.00 40.14 O ATOM 0 H GLY A 631 8.675 6.831 -0.764 1.00 62.20 H new ATOM 0 HA2 GLY A 631 8.580 5.763 1.770 1.00 4.42 H new ATOM 0 HA3 GLY A 631 9.032 7.410 1.376 1.00 4.42 H new ATOM 514 N ARG A 632 6.242 8.043 1.303 1.00 43.41 N ATOM 515 CA ARG A 632 5.023 8.607 1.871 1.00 64.05 C ATOM 516 C ARG A 632 3.938 7.542 1.993 1.00 74.12 C ATOM 517 O ARG A 632 3.268 7.438 3.020 1.00 14.34 O ATOM 518 CB ARG A 632 4.521 9.766 1.007 1.00 64.52 C ATOM 519 CG ARG A 632 4.910 11.135 1.539 1.00 12.14 C ATOM 520 CD ARG A 632 6.155 11.669 0.848 1.00 31.14 C ATOM 521 NE ARG A 632 6.561 12.968 1.379 1.00 73.25 N ATOM 522 CZ ARG A 632 7.222 13.121 2.520 1.00 13.55 C ATOM 523 NH1 ARG A 632 7.550 12.063 3.248 1.00 60.21 N ATOM 524 NH2 ARG A 632 7.556 14.336 2.937 1.00 41.34 N ATOM 0 H ARG A 632 6.457 8.366 0.360 1.00 43.41 H new ATOM 0 HA ARG A 632 5.255 8.981 2.868 1.00 64.05 H new ATOM 0 HB2 ARG A 632 4.915 9.653 -0.003 1.00 64.52 H new ATOM 0 HB3 ARG A 632 3.435 9.709 0.933 1.00 64.52 H new ATOM 0 HG2 ARG A 632 4.084 11.831 1.392 1.00 12.14 H new ATOM 0 HG3 ARG A 632 5.087 11.072 2.613 1.00 12.14 H new ATOM 0 HD2 ARG A 632 6.971 10.957 0.970 1.00 31.14 H new ATOM 0 HD3 ARG A 632 5.966 11.758 -0.222 1.00 31.14 H new ATOM 0 HE ARG A 632 6.324 13.803 0.844 1.00 73.25 H new ATOM 0 HH11 ARG A 632 7.295 11.127 2.932 1.00 60.21 H new ATOM 0 HH12 ARG A 632 8.058 12.184 4.124 1.00 60.21 H new ATOM 0 HH21 ARG A 632 7.305 15.153 2.381 1.00 41.34 H new ATOM 0 HH22 ARG A 632 8.064 14.453 3.814 1.00 41.34 H new ATOM 538 N VAL A 633 3.769 6.752 0.937 1.00 51.21 N ATOM 539 CA VAL A 633 2.765 5.695 0.926 1.00 62.33 C ATOM 540 C VAL A 633 3.047 4.658 2.007 1.00 65.30 C ATOM 541 O VAL A 633 2.202 4.390 2.861 1.00 25.23 O ATOM 542 CB VAL A 633 2.707 4.990 -0.443 1.00 1.51 C ATOM 543 CG1 VAL A 633 1.567 3.984 -0.478 1.00 1.02 C ATOM 544 CG2 VAL A 633 2.562 6.011 -1.561 1.00 42.52 C ATOM 0 H VAL A 633 4.315 6.824 0.078 1.00 51.21 H new ATOM 0 HA VAL A 633 1.804 6.170 1.123 1.00 62.33 H new ATOM 0 HB VAL A 633 3.641 4.449 -0.594 1.00 1.51 H new ATOM 0 HG11 VAL A 633 1.542 3.496 -1.452 1.00 1.02 H new ATOM 0 HG12 VAL A 633 1.719 3.235 0.299 1.00 1.02 H new ATOM 0 HG13 VAL A 633 0.622 4.499 -0.306 1.00 1.02 H new ATOM 0 HG21 VAL A 633 2.523 5.496 -2.521 1.00 42.52 H new ATOM 0 HG22 VAL A 633 1.644 6.581 -1.417 1.00 42.52 H new ATOM 0 HG23 VAL A 633 3.415 6.689 -1.548 1.00 42.52 H new ATOM 554 N VAL A 634 4.242 4.077 1.964 1.00 22.45 N ATOM 555 CA VAL A 634 4.638 3.069 2.942 1.00 53.33 C ATOM 556 C VAL A 634 4.402 3.562 4.365 1.00 75.01 C ATOM 557 O VAL A 634 4.080 2.779 5.259 1.00 30.23 O ATOM 558 CB VAL A 634 6.121 2.685 2.783 1.00 73.13 C ATOM 559 CG1 VAL A 634 6.458 1.485 3.654 1.00 33.50 C ATOM 560 CG2 VAL A 634 6.444 2.402 1.323 1.00 12.23 C ATOM 0 H VAL A 634 4.953 4.287 1.263 1.00 22.45 H new ATOM 0 HA VAL A 634 4.021 2.190 2.758 1.00 53.33 H new ATOM 0 HB VAL A 634 6.733 3.525 3.111 1.00 73.13 H new ATOM 0 HG11 VAL A 634 7.510 1.228 3.528 1.00 33.50 H new ATOM 0 HG12 VAL A 634 6.266 1.729 4.699 1.00 33.50 H new ATOM 0 HG13 VAL A 634 5.840 0.637 3.360 1.00 33.50 H new ATOM 0 HG21 VAL A 634 7.496 2.132 1.229 1.00 12.23 H new ATOM 0 HG22 VAL A 634 5.825 1.579 0.966 1.00 12.23 H new ATOM 0 HG23 VAL A 634 6.243 3.292 0.727 1.00 12.23 H new ATOM 570 N HIS A 635 4.563 4.866 4.568 1.00 34.35 N ATOM 571 CA HIS A 635 4.366 5.464 5.884 1.00 13.10 C ATOM 572 C HIS A 635 2.914 5.327 6.331 1.00 35.04 C ATOM 573 O HIS A 635 2.636 5.092 7.508 1.00 43.10 O ATOM 574 CB HIS A 635 4.768 6.939 5.862 1.00 54.21 C ATOM 575 CG HIS A 635 4.911 7.541 7.226 1.00 40.43 C ATOM 576 ND1 HIS A 635 5.898 7.167 8.114 1.00 55.34 N ATOM 577 CD2 HIS A 635 4.187 8.498 7.852 1.00 54.23 C ATOM 578 CE1 HIS A 635 5.773 7.867 9.227 1.00 34.34 C ATOM 579 NE2 HIS A 635 4.742 8.682 9.094 1.00 0.00 N ATOM 0 H HIS A 635 4.829 5.528 3.839 1.00 34.35 H new ATOM 0 HA HIS A 635 4.998 4.933 6.596 1.00 13.10 H new ATOM 0 HB2 HIS A 635 5.712 7.042 5.328 1.00 54.21 H new ATOM 0 HB3 HIS A 635 4.022 7.502 5.302 1.00 54.21 H new ATOM 0 HD2 HIS A 635 3.332 9.020 7.449 1.00 54.23 H new ATOM 0 HE1 HIS A 635 6.406 7.787 10.098 1.00 34.34 H new ATOM 0 HE2 HIS A 635 4.412 9.341 9.799 1.00 0.00 H new ATOM 587 N ILE A 636 1.992 5.476 5.386 1.00 33.21 N ATOM 588 CA ILE A 636 0.569 5.368 5.684 1.00 51.14 C ATOM 589 C ILE A 636 0.243 4.027 6.331 1.00 33.34 C ATOM 590 O ILE A 636 -0.387 3.973 7.388 1.00 2.23 O ATOM 591 CB ILE A 636 -0.286 5.533 4.413 1.00 0.43 C ATOM 592 CG1 ILE A 636 0.229 6.705 3.574 1.00 21.25 C ATOM 593 CG2 ILE A 636 -1.747 5.741 4.782 1.00 74.34 C ATOM 594 CD1 ILE A 636 -0.745 7.160 2.510 1.00 65.21 C ATOM 0 H ILE A 636 2.205 5.672 4.408 1.00 33.21 H new ATOM 0 HA ILE A 636 0.330 6.172 6.380 1.00 51.14 H new ATOM 0 HB ILE A 636 -0.207 4.623 3.819 1.00 0.43 H new ATOM 0 HG12 ILE A 636 0.452 7.544 4.234 1.00 21.25 H new ATOM 0 HG13 ILE A 636 1.166 6.416 3.098 1.00 21.25 H new ATOM 0 HG21 ILE A 636 -2.339 5.856 3.874 1.00 74.34 H new ATOM 0 HG22 ILE A 636 -2.107 4.878 5.343 1.00 74.34 H new ATOM 0 HG23 ILE A 636 -1.844 6.638 5.394 1.00 74.34 H new ATOM 0 HD11 ILE A 636 -0.314 7.993 1.955 1.00 65.21 H new ATOM 0 HD12 ILE A 636 -0.949 6.335 1.827 1.00 65.21 H new ATOM 0 HD13 ILE A 636 -1.675 7.480 2.981 1.00 65.21 H new ATOM 606 N ILE A 637 0.677 2.946 5.692 1.00 75.04 N ATOM 607 CA ILE A 637 0.433 1.605 6.207 1.00 22.52 C ATOM 608 C ILE A 637 1.290 1.324 7.437 1.00 45.23 C ATOM 609 O ILE A 637 0.884 0.585 8.333 1.00 50.12 O ATOM 610 CB ILE A 637 0.719 0.531 5.140 1.00 30.05 C ATOM 611 CG1 ILE A 637 -0.152 0.765 3.904 1.00 20.44 C ATOM 612 CG2 ILE A 637 0.478 -0.859 5.710 1.00 11.00 C ATOM 613 CD1 ILE A 637 0.588 0.574 2.599 1.00 61.11 C ATOM 0 H ILE A 637 1.200 2.973 4.816 1.00 75.04 H new ATOM 0 HA ILE A 637 -0.621 1.560 6.483 1.00 22.52 H new ATOM 0 HB ILE A 637 1.765 0.604 4.843 1.00 30.05 H new ATOM 0 HG12 ILE A 637 -1.002 0.083 3.934 1.00 20.44 H new ATOM 0 HG13 ILE A 637 -0.554 1.777 3.939 1.00 20.44 H new ATOM 0 HG21 ILE A 637 0.684 -1.607 4.944 1.00 11.00 H new ATOM 0 HG22 ILE A 637 1.137 -1.022 6.563 1.00 11.00 H new ATOM 0 HG23 ILE A 637 -0.560 -0.945 6.031 1.00 11.00 H new ATOM 0 HD11 ILE A 637 -0.091 0.756 1.766 1.00 61.11 H new ATOM 0 HD12 ILE A 637 1.422 1.274 2.548 1.00 61.11 H new ATOM 0 HD13 ILE A 637 0.967 -0.446 2.542 1.00 61.11 H new ATOM 625 N GLN A 638 2.477 1.921 7.472 1.00 4.24 N ATOM 626 CA GLN A 638 3.392 1.736 8.593 1.00 14.32 C ATOM 627 C GLN A 638 2.810 2.327 9.873 1.00 1.42 C ATOM 628 O GLN A 638 3.057 1.824 10.969 1.00 0.10 O ATOM 629 CB GLN A 638 4.744 2.382 8.287 1.00 0.35 C ATOM 630 CG GLN A 638 5.829 1.381 7.925 1.00 75.24 C ATOM 631 CD GLN A 638 7.183 2.033 7.730 1.00 23.40 C ATOM 632 OE1 GLN A 638 8.093 1.854 8.540 1.00 1.34 O ATOM 633 NE2 GLN A 638 7.325 2.794 6.651 1.00 30.50 N ATOM 0 H GLN A 638 2.828 2.536 6.738 1.00 4.24 H new ATOM 0 HA GLN A 638 3.535 0.666 8.741 1.00 14.32 H new ATOM 0 HB2 GLN A 638 4.623 3.087 7.464 1.00 0.35 H new ATOM 0 HB3 GLN A 638 5.067 2.957 9.155 1.00 0.35 H new ATOM 0 HG2 GLN A 638 5.902 0.630 8.711 1.00 75.24 H new ATOM 0 HG3 GLN A 638 5.546 0.859 7.011 1.00 75.24 H new ATOM 0 HE21 GLN A 638 6.544 2.915 6.006 1.00 30.50 H new ATOM 0 HE22 GLN A 638 8.215 3.258 6.467 1.00 30.50 H new ATOM 642 N SER A 639 2.037 3.399 9.726 1.00 32.45 N ATOM 643 CA SER A 639 1.423 4.061 10.872 1.00 44.15 C ATOM 644 C SER A 639 -0.009 3.577 11.076 1.00 23.54 C ATOM 645 O SER A 639 -0.525 3.587 12.194 1.00 54.32 O ATOM 646 CB SER A 639 1.438 5.579 10.677 1.00 35.54 C ATOM 647 OG SER A 639 2.333 6.200 11.582 1.00 5.14 O ATOM 0 H SER A 639 1.821 3.827 8.826 1.00 32.45 H new ATOM 0 HA SER A 639 2.002 3.809 11.760 1.00 44.15 H new ATOM 0 HB2 SER A 639 1.729 5.814 9.653 1.00 35.54 H new ATOM 0 HB3 SER A 639 0.434 5.977 10.822 1.00 35.54 H new ATOM 0 HG SER A 639 2.326 7.169 11.436 1.00 5.14 H new ATOM 653 N ARG A 640 -0.644 3.152 9.989 1.00 13.02 N ATOM 654 CA ARG A 640 -2.017 2.665 10.048 1.00 30.51 C ATOM 655 C ARG A 640 -2.064 1.236 10.582 1.00 71.33 C ATOM 656 O ARG A 640 -3.017 0.847 11.256 1.00 23.43 O ATOM 657 CB ARG A 640 -2.662 2.724 8.662 1.00 1.21 C ATOM 658 CG ARG A 640 -3.133 4.115 8.269 1.00 34.32 C ATOM 659 CD ARG A 640 -4.580 4.348 8.676 1.00 70.03 C ATOM 660 NE ARG A 640 -4.740 5.576 9.450 1.00 42.13 N ATOM 661 CZ ARG A 640 -5.857 5.900 10.092 1.00 42.25 C ATOM 662 NH1 ARG A 640 -6.906 5.091 10.052 1.00 14.14 N ATOM 663 NH2 ARG A 640 -5.925 7.036 10.775 1.00 71.42 N ATOM 0 H ARG A 640 -0.230 3.135 9.057 1.00 13.02 H new ATOM 0 HA ARG A 640 -2.575 3.308 10.728 1.00 30.51 H new ATOM 0 HB2 ARG A 640 -1.945 2.369 7.921 1.00 1.21 H new ATOM 0 HB3 ARG A 640 -3.511 2.041 8.636 1.00 1.21 H new ATOM 0 HG2 ARG A 640 -2.496 4.863 8.741 1.00 34.32 H new ATOM 0 HG3 ARG A 640 -3.032 4.244 7.191 1.00 34.32 H new ATOM 0 HD2 ARG A 640 -5.204 4.398 7.784 1.00 70.03 H new ATOM 0 HD3 ARG A 640 -4.932 3.500 9.264 1.00 70.03 H new ATOM 0 HE ARG A 640 -3.951 6.220 9.500 1.00 42.13 H new ATOM 0 HH11 ARG A 640 -6.857 4.218 9.528 1.00 14.14 H new ATOM 0 HH12 ARG A 640 -7.763 5.342 10.546 1.00 14.14 H new ATOM 0 HH21 ARG A 640 -5.119 7.661 10.807 1.00 71.42 H new ATOM 0 HH22 ARG A 640 -6.783 7.284 11.268 1.00 71.42 H new ATOM 677 N GLU A 641 -1.029 0.460 10.274 1.00 75.15 N ATOM 678 CA GLU A 641 -0.955 -0.926 10.721 1.00 5.23 C ATOM 679 C GLU A 641 -0.282 -1.020 12.088 1.00 71.41 C ATOM 680 O GLU A 641 0.846 -0.569 12.285 1.00 24.21 O ATOM 681 CB GLU A 641 -0.188 -1.773 9.704 1.00 62.13 C ATOM 682 CG GLU A 641 -0.018 -3.223 10.124 1.00 60.30 C ATOM 683 CD GLU A 641 -0.511 -4.197 9.071 1.00 21.35 C ATOM 684 OE1 GLU A 641 -1.740 -4.399 8.978 1.00 24.32 O ATOM 685 OE2 GLU A 641 0.333 -4.757 8.341 1.00 60.24 O ATOM 0 H GLU A 641 -0.231 0.767 9.717 1.00 75.15 H new ATOM 0 HA GLU A 641 -1.972 -1.308 10.808 1.00 5.23 H new ATOM 0 HB2 GLU A 641 -0.711 -1.739 8.748 1.00 62.13 H new ATOM 0 HB3 GLU A 641 0.796 -1.332 9.545 1.00 62.13 H new ATOM 0 HG2 GLU A 641 1.035 -3.417 10.329 1.00 60.30 H new ATOM 0 HG3 GLU A 641 -0.560 -3.394 11.054 1.00 60.30 H new ATOM 797 N PRO A 649 12.524 -1.120 10.191 1.00 51.11 N ATOM 798 CA PRO A 649 11.706 -0.090 9.545 1.00 54.43 C ATOM 799 C PRO A 649 11.995 0.029 8.052 1.00 2.23 C ATOM 800 O PRO A 649 11.303 0.749 7.331 1.00 24.44 O ATOM 801 CB PRO A 649 12.112 1.194 10.272 1.00 3.32 C ATOM 802 CG PRO A 649 13.489 0.926 10.774 1.00 61.51 C ATOM 803 CD PRO A 649 13.534 -0.543 11.094 1.00 33.01 C ATOM 0 HA PRO A 649 10.642 -0.315 9.611 1.00 54.43 H new ATOM 0 HB2 PRO A 649 12.096 2.052 9.600 1.00 3.32 H new ATOM 0 HB3 PRO A 649 11.429 1.418 11.091 1.00 3.32 H new ATOM 0 HG2 PRO A 649 14.235 1.185 10.023 1.00 61.51 H new ATOM 0 HG3 PRO A 649 13.705 1.525 11.659 1.00 61.51 H new ATOM 0 HD2 PRO A 649 14.523 -0.964 10.912 1.00 33.01 H new ATOM 0 HD3 PRO A 649 13.294 -0.734 12.140 1.00 33.01 H new ATOM 811 N ASP A 650 13.021 -0.681 7.595 1.00 12.42 N ATOM 812 CA ASP A 650 13.401 -0.656 6.187 1.00 12.25 C ATOM 813 C ASP A 650 12.630 -1.709 5.398 1.00 52.02 C ATOM 814 O ASP A 650 12.943 -1.982 4.240 1.00 42.04 O ATOM 815 CB ASP A 650 14.905 -0.889 6.039 1.00 21.31 C ATOM 816 CG ASP A 650 15.686 -0.417 7.250 1.00 64.24 C ATOM 817 OD1 ASP A 650 15.730 -1.158 8.254 1.00 34.12 O ATOM 818 OD2 ASP A 650 16.255 0.693 7.192 1.00 63.20 O ATOM 0 H ASP A 650 13.604 -1.281 8.179 1.00 12.42 H new ATOM 0 HA ASP A 650 13.153 0.327 5.786 1.00 12.25 H new ATOM 0 HB2 ASP A 650 15.091 -1.951 5.882 1.00 21.31 H new ATOM 0 HB3 ASP A 650 15.265 -0.367 5.152 1.00 21.31 H new ATOM 823 N GLU A 651 11.621 -2.297 6.033 1.00 22.24 N ATOM 824 CA GLU A 651 10.807 -3.322 5.390 1.00 43.20 C ATOM 825 C GLU A 651 9.354 -3.227 5.845 1.00 72.21 C ATOM 826 O GLU A 651 9.073 -2.889 6.995 1.00 24.54 O ATOM 827 CB GLU A 651 11.361 -4.714 5.701 1.00 72.02 C ATOM 828 CG GLU A 651 10.777 -5.810 4.826 1.00 61.44 C ATOM 829 CD GLU A 651 10.426 -7.059 5.611 1.00 13.12 C ATOM 830 OE1 GLU A 651 9.875 -6.923 6.724 1.00 22.51 O ATOM 831 OE2 GLU A 651 10.701 -8.171 5.114 1.00 42.40 O ATOM 0 H GLU A 651 11.348 -2.081 6.992 1.00 22.24 H new ATOM 0 HA GLU A 651 10.844 -3.157 4.313 1.00 43.20 H new ATOM 0 HB2 GLU A 651 12.444 -4.701 5.578 1.00 72.02 H new ATOM 0 HB3 GLU A 651 11.162 -4.950 6.746 1.00 72.02 H new ATOM 0 HG2 GLU A 651 9.883 -5.435 4.329 1.00 61.44 H new ATOM 0 HG3 GLU A 651 11.493 -6.066 4.045 1.00 61.44 H new ATOM 838 N ILE A 652 8.434 -3.527 4.934 1.00 42.01 N ATOM 839 CA ILE A 652 7.010 -3.476 5.241 1.00 23.31 C ATOM 840 C ILE A 652 6.259 -4.613 4.556 1.00 24.34 C ATOM 841 O ILE A 652 6.563 -4.974 3.420 1.00 53.13 O ATOM 842 CB ILE A 652 6.389 -2.134 4.812 1.00 61.02 C ATOM 843 CG1 ILE A 652 5.475 -1.595 5.914 1.00 53.34 C ATOM 844 CG2 ILE A 652 5.619 -2.299 3.510 1.00 32.12 C ATOM 845 CD1 ILE A 652 4.348 -0.729 5.394 1.00 4.21 C ATOM 0 H ILE A 652 8.650 -3.808 3.977 1.00 42.01 H new ATOM 0 HA ILE A 652 6.916 -3.581 6.322 1.00 23.31 H new ATOM 0 HB ILE A 652 7.191 -1.415 4.648 1.00 61.02 H new ATOM 0 HG12 ILE A 652 5.052 -2.434 6.467 1.00 53.34 H new ATOM 0 HG13 ILE A 652 6.072 -1.016 6.619 1.00 53.34 H new ATOM 0 HG21 ILE A 652 5.186 -1.342 3.220 1.00 32.12 H new ATOM 0 HG22 ILE A 652 6.296 -2.643 2.728 1.00 32.12 H new ATOM 0 HG23 ILE A 652 4.823 -3.030 3.648 1.00 32.12 H new ATOM 0 HD11 ILE A 652 3.741 -0.382 6.230 1.00 4.21 H new ATOM 0 HD12 ILE A 652 4.763 0.129 4.866 1.00 4.21 H new ATOM 0 HD13 ILE A 652 3.728 -1.310 4.711 1.00 4.21 H new ATOM 857 N GLU A 653 5.277 -5.172 5.256 1.00 20.41 N ATOM 858 CA GLU A 653 4.482 -6.268 4.714 1.00 30.23 C ATOM 859 C GLU A 653 3.023 -5.853 4.552 1.00 55.10 C ATOM 860 O GLU A 653 2.256 -5.851 5.516 1.00 60.23 O ATOM 861 CB GLU A 653 4.576 -7.495 5.624 1.00 5.21 C ATOM 862 CG GLU A 653 3.801 -8.696 5.109 1.00 13.44 C ATOM 863 CD GLU A 653 2.919 -9.320 6.173 1.00 31.13 C ATOM 864 OE1 GLU A 653 3.444 -9.655 7.256 1.00 74.40 O ATOM 865 OE2 GLU A 653 1.705 -9.474 5.924 1.00 42.14 O ATOM 0 H GLU A 653 5.013 -4.885 6.198 1.00 20.41 H new ATOM 0 HA GLU A 653 4.882 -6.521 3.732 1.00 30.23 H new ATOM 0 HB2 GLU A 653 5.624 -7.772 5.739 1.00 5.21 H new ATOM 0 HB3 GLU A 653 4.205 -7.231 6.614 1.00 5.21 H new ATOM 0 HG2 GLU A 653 3.184 -8.391 4.264 1.00 13.44 H new ATOM 0 HG3 GLU A 653 4.502 -9.444 4.738 1.00 13.44 H new ATOM 872 N ILE A 654 2.646 -5.501 3.327 1.00 24.31 N ATOM 873 CA ILE A 654 1.280 -5.085 3.038 1.00 12.32 C ATOM 874 C ILE A 654 0.449 -6.250 2.512 1.00 24.52 C ATOM 875 O ILE A 654 0.649 -6.710 1.388 1.00 74.43 O ATOM 876 CB ILE A 654 1.246 -3.939 2.009 1.00 20.41 C ATOM 877 CG1 ILE A 654 2.404 -2.970 2.254 1.00 65.32 C ATOM 878 CG2 ILE A 654 -0.086 -3.208 2.074 1.00 14.02 C ATOM 879 CD1 ILE A 654 2.460 -1.831 1.260 1.00 73.31 C ATOM 0 H ILE A 654 3.268 -5.496 2.519 1.00 24.31 H new ATOM 0 HA ILE A 654 0.853 -4.733 3.977 1.00 12.32 H new ATOM 0 HB ILE A 654 1.357 -4.363 1.011 1.00 20.41 H new ATOM 0 HG12 ILE A 654 2.317 -2.560 3.260 1.00 65.32 H new ATOM 0 HG13 ILE A 654 3.343 -3.522 2.215 1.00 65.32 H new ATOM 0 HG21 ILE A 654 -0.094 -2.401 1.341 1.00 14.02 H new ATOM 0 HG22 ILE A 654 -0.895 -3.905 1.855 1.00 14.02 H new ATOM 0 HG23 ILE A 654 -0.225 -2.793 3.072 1.00 14.02 H new ATOM 0 HD11 ILE A 654 3.305 -1.184 1.495 1.00 73.31 H new ATOM 0 HD12 ILE A 654 2.579 -2.232 0.253 1.00 73.31 H new ATOM 0 HD13 ILE A 654 1.536 -1.255 1.315 1.00 73.31 H new ATOM 891 N ASP A 655 -0.483 -6.723 3.332 1.00 12.40 N ATOM 892 CA ASP A 655 -1.347 -7.833 2.949 1.00 71.23 C ATOM 893 C ASP A 655 -2.815 -7.422 2.999 1.00 33.10 C ATOM 894 O ASP A 655 -3.429 -7.403 4.066 1.00 11.31 O ATOM 895 CB ASP A 655 -1.109 -9.033 3.867 1.00 42.01 C ATOM 896 CG ASP A 655 -1.728 -10.307 3.327 1.00 30.11 C ATOM 897 OD1 ASP A 655 -2.557 -10.216 2.398 1.00 12.11 O ATOM 898 OD2 ASP A 655 -1.384 -11.396 3.834 1.00 10.53 O ATOM 0 H ASP A 655 -0.659 -6.355 4.267 1.00 12.40 H new ATOM 0 HA ASP A 655 -1.102 -8.115 1.925 1.00 71.23 H new ATOM 0 HB2 ASP A 655 -0.037 -9.180 3.997 1.00 42.01 H new ATOM 0 HB3 ASP A 655 -1.523 -8.821 4.853 1.00 42.01 H new ATOM 903 N PHE A 656 -3.372 -7.093 1.838 1.00 14.03 N ATOM 904 CA PHE A 656 -4.768 -6.680 1.750 1.00 11.00 C ATOM 905 C PHE A 656 -5.692 -7.766 2.293 1.00 71.34 C ATOM 906 O PHE A 656 -6.838 -7.498 2.653 1.00 5.40 O ATOM 907 CB PHE A 656 -5.136 -6.359 0.300 1.00 14.10 C ATOM 908 CG PHE A 656 -4.457 -5.130 -0.233 1.00 12.32 C ATOM 909 CD1 PHE A 656 -3.634 -4.369 0.582 1.00 51.22 C ATOM 910 CD2 PHE A 656 -4.641 -4.736 -1.548 1.00 54.52 C ATOM 911 CE1 PHE A 656 -3.009 -3.237 0.094 1.00 3.01 C ATOM 912 CE2 PHE A 656 -4.018 -3.605 -2.042 1.00 12.33 C ATOM 913 CZ PHE A 656 -3.200 -2.855 -1.220 1.00 21.15 C ATOM 0 H PHE A 656 -2.878 -7.104 0.945 1.00 14.03 H new ATOM 0 HA PHE A 656 -4.895 -5.783 2.357 1.00 11.00 H new ATOM 0 HB2 PHE A 656 -4.876 -7.210 -0.329 1.00 14.10 H new ATOM 0 HB3 PHE A 656 -6.216 -6.228 0.228 1.00 14.10 H new ATOM 0 HD1 PHE A 656 -3.479 -4.664 1.609 1.00 51.22 H new ATOM 0 HD2 PHE A 656 -5.279 -5.319 -2.195 1.00 54.52 H new ATOM 0 HE1 PHE A 656 -2.371 -2.651 0.740 1.00 3.01 H new ATOM 0 HE2 PHE A 656 -4.171 -3.308 -3.069 1.00 12.33 H new ATOM 0 HZ PHE A 656 -2.711 -1.972 -1.603 1.00 21.15 H new ATOM 923 N GLU A 657 -5.185 -8.994 2.347 1.00 43.14 N ATOM 924 CA GLU A 657 -5.965 -10.121 2.844 1.00 61.14 C ATOM 925 C GLU A 657 -6.371 -9.902 4.298 1.00 21.53 C ATOM 926 O GLU A 657 -7.427 -10.360 4.736 1.00 30.13 O ATOM 927 CB GLU A 657 -5.165 -11.419 2.715 1.00 34.44 C ATOM 928 CG GLU A 657 -5.978 -12.667 3.019 1.00 2.03 C ATOM 929 CD GLU A 657 -6.796 -13.134 1.831 1.00 63.40 C ATOM 930 OE1 GLU A 657 -7.952 -12.684 1.692 1.00 31.41 O ATOM 931 OE2 GLU A 657 -6.278 -13.950 1.040 1.00 72.44 O ATOM 0 H GLU A 657 -4.238 -9.233 2.053 1.00 43.14 H new ATOM 0 HA GLU A 657 -6.870 -10.199 2.241 1.00 61.14 H new ATOM 0 HB2 GLU A 657 -4.767 -11.492 1.703 1.00 34.44 H new ATOM 0 HB3 GLU A 657 -4.311 -11.378 3.391 1.00 34.44 H new ATOM 0 HG2 GLU A 657 -5.306 -13.467 3.330 1.00 2.03 H new ATOM 0 HG3 GLU A 657 -6.644 -12.467 3.858 1.00 2.03 H new ATOM 938 N THR A 658 -5.524 -9.200 5.044 1.00 43.31 N ATOM 939 CA THR A 658 -5.792 -8.921 6.449 1.00 21.20 C ATOM 940 C THR A 658 -5.923 -7.423 6.697 1.00 1.14 C ATOM 941 O THR A 658 -6.573 -6.996 7.653 1.00 62.02 O ATOM 942 CB THR A 658 -4.681 -9.485 7.355 1.00 34.24 C ATOM 943 OG1 THR A 658 -4.869 -9.031 8.700 1.00 32.35 O ATOM 944 CG2 THR A 658 -3.308 -9.059 6.858 1.00 14.00 C ATOM 0 H THR A 658 -4.646 -8.814 4.698 1.00 43.31 H new ATOM 0 HA THR A 658 -6.735 -9.410 6.694 1.00 21.20 H new ATOM 0 HB THR A 658 -4.738 -10.573 7.327 1.00 34.24 H new ATOM 0 HG1 THR A 658 -4.160 -9.395 9.270 1.00 32.35 H new ATOM 0 HG21 THR A 658 -2.540 -9.469 7.514 1.00 14.00 H new ATOM 0 HG22 THR A 658 -3.156 -9.431 5.845 1.00 14.00 H new ATOM 0 HG23 THR A 658 -3.242 -7.971 6.859 1.00 14.00 H new ATOM 952 N LEU A 659 -5.303 -6.628 5.832 1.00 22.22 N ATOM 953 CA LEU A 659 -5.351 -5.176 5.957 1.00 1.43 C ATOM 954 C LEU A 659 -6.793 -4.680 5.999 1.00 22.01 C ATOM 955 O LEU A 659 -7.707 -5.354 5.524 1.00 62.42 O ATOM 956 CB LEU A 659 -4.607 -4.519 4.793 1.00 54.21 C ATOM 957 CG LEU A 659 -3.401 -3.658 5.167 1.00 4.44 C ATOM 958 CD1 LEU A 659 -2.107 -4.427 4.950 1.00 73.44 C ATOM 959 CD2 LEU A 659 -3.397 -2.366 4.363 1.00 62.13 C ATOM 0 H LEU A 659 -4.761 -6.965 5.036 1.00 22.22 H new ATOM 0 HA LEU A 659 -4.864 -4.901 6.893 1.00 1.43 H new ATOM 0 HB2 LEU A 659 -4.272 -5.303 4.114 1.00 54.21 H new ATOM 0 HB3 LEU A 659 -5.313 -3.899 4.240 1.00 54.21 H new ATOM 0 HG LEU A 659 -3.475 -3.404 6.224 1.00 4.44 H new ATOM 0 HD11 LEU A 659 -1.260 -3.797 5.222 1.00 73.44 H new ATOM 0 HD12 LEU A 659 -2.108 -5.323 5.571 1.00 73.44 H new ATOM 0 HD13 LEU A 659 -2.025 -4.713 3.901 1.00 73.44 H new ATOM 0 HD21 LEU A 659 -2.531 -1.766 4.643 1.00 62.13 H new ATOM 0 HD22 LEU A 659 -3.348 -2.599 3.299 1.00 62.13 H new ATOM 0 HD23 LEU A 659 -4.309 -1.806 4.570 1.00 62.13 H new ATOM 971 N LYS A 660 -6.990 -3.496 6.569 1.00 22.11 N ATOM 972 CA LYS A 660 -8.320 -2.907 6.670 1.00 4.14 C ATOM 973 C LYS A 660 -8.642 -2.075 5.433 1.00 3.43 C ATOM 974 O LYS A 660 -7.760 -1.704 4.658 1.00 2.02 O ATOM 975 CB LYS A 660 -8.420 -2.036 7.925 1.00 43.45 C ATOM 976 CG LYS A 660 -9.148 -2.708 9.076 1.00 51.35 C ATOM 977 CD LYS A 660 -9.740 -1.687 10.033 1.00 55.15 C ATOM 978 CE LYS A 660 -10.676 -2.342 11.037 1.00 11.10 C ATOM 979 NZ LYS A 660 -11.601 -1.355 11.659 1.00 54.31 N ATOM 0 H LYS A 660 -6.245 -2.925 6.968 1.00 22.11 H new ATOM 0 HA LYS A 660 -9.045 -3.718 6.739 1.00 4.14 H new ATOM 0 HB2 LYS A 660 -7.415 -1.765 8.250 1.00 43.45 H new ATOM 0 HB3 LYS A 660 -8.934 -1.108 7.673 1.00 43.45 H new ATOM 0 HG2 LYS A 660 -9.942 -3.344 8.684 1.00 51.35 H new ATOM 0 HG3 LYS A 660 -8.458 -3.356 9.616 1.00 51.35 H new ATOM 0 HD2 LYS A 660 -8.937 -1.175 10.563 1.00 55.15 H new ATOM 0 HD3 LYS A 660 -10.283 -0.929 9.468 1.00 55.15 H new ATOM 0 HE2 LYS A 660 -11.256 -3.119 10.539 1.00 11.10 H new ATOM 0 HE3 LYS A 660 -10.090 -2.830 11.815 1.00 11.10 H new ATOM 0 HZ1 LYS A 660 -12.222 -1.841 12.337 1.00 54.31 H new ATOM 0 HZ2 LYS A 660 -11.049 -0.627 12.156 1.00 54.31 H new ATOM 0 HZ3 LYS A 660 -12.179 -0.907 10.920 1.00 54.31 H new ATOM 993 N PRO A 661 -9.934 -1.772 5.243 1.00 53.41 N ATOM 994 CA PRO A 661 -10.402 -0.978 4.102 1.00 3.15 C ATOM 995 C PRO A 661 -9.972 0.482 4.197 1.00 12.15 C ATOM 996 O PRO A 661 -9.770 1.147 3.181 1.00 30.14 O ATOM 997 CB PRO A 661 -11.925 -1.094 4.190 1.00 15.13 C ATOM 998 CG PRO A 661 -12.202 -1.368 5.628 1.00 13.32 C ATOM 999 CD PRO A 661 -11.039 -2.180 6.126 1.00 32.15 C ATOM 0 HA PRO A 661 -9.988 -1.335 3.159 1.00 3.15 H new ATOM 0 HB2 PRO A 661 -12.412 -0.176 3.861 1.00 15.13 H new ATOM 0 HB3 PRO A 661 -12.298 -1.897 3.555 1.00 15.13 H new ATOM 0 HG2 PRO A 661 -12.299 -0.439 6.191 1.00 13.32 H new ATOM 0 HG3 PRO A 661 -13.138 -1.913 5.748 1.00 13.32 H new ATOM 0 HD2 PRO A 661 -10.818 -1.966 7.172 1.00 32.15 H new ATOM 0 HD3 PRO A 661 -11.236 -3.250 6.055 1.00 32.15 H new ATOM 1007 N SER A 662 -9.834 0.975 5.424 1.00 13.02 N ATOM 1008 CA SER A 662 -9.432 2.358 5.652 1.00 42.05 C ATOM 1009 C SER A 662 -8.045 2.622 5.073 1.00 1.22 C ATOM 1010 O SER A 662 -7.849 3.563 4.303 1.00 4.01 O ATOM 1011 CB SER A 662 -9.442 2.675 7.148 1.00 25.22 C ATOM 1012 OG SER A 662 -8.481 3.667 7.466 1.00 63.22 O ATOM 0 H SER A 662 -9.995 0.437 6.275 1.00 13.02 H new ATOM 0 HA SER A 662 -10.148 3.007 5.147 1.00 42.05 H new ATOM 0 HB2 SER A 662 -10.434 3.017 7.444 1.00 25.22 H new ATOM 0 HB3 SER A 662 -9.235 1.768 7.716 1.00 25.22 H new ATOM 0 HG SER A 662 -8.509 3.853 8.428 1.00 63.22 H new ATOM 1018 N THR A 663 -7.084 1.784 5.450 1.00 1.53 N ATOM 1019 CA THR A 663 -5.715 1.927 4.971 1.00 23.45 C ATOM 1020 C THR A 663 -5.636 1.721 3.463 1.00 3.30 C ATOM 1021 O THR A 663 -4.993 2.496 2.753 1.00 11.44 O ATOM 1022 CB THR A 663 -4.770 0.926 5.664 1.00 15.25 C ATOM 1023 OG1 THR A 663 -4.860 1.073 7.086 1.00 24.41 O ATOM 1024 CG2 THR A 663 -3.332 1.140 5.217 1.00 55.13 C ATOM 0 H THR A 663 -7.229 0.999 6.086 1.00 1.53 H new ATOM 0 HA THR A 663 -5.400 2.942 5.214 1.00 23.45 H new ATOM 0 HB THR A 663 -5.074 -0.082 5.383 1.00 15.25 H new ATOM 0 HG1 THR A 663 -4.386 0.334 7.522 1.00 24.41 H new ATOM 0 HG21 THR A 663 -2.684 0.422 5.720 1.00 55.13 H new ATOM 0 HG22 THR A 663 -3.262 0.999 4.138 1.00 55.13 H new ATOM 0 HG23 THR A 663 -3.018 2.152 5.472 1.00 55.13 H new ATOM 1032 N LEU A 664 -6.293 0.674 2.978 1.00 20.32 N ATOM 1033 CA LEU A 664 -6.298 0.367 1.552 1.00 22.40 C ATOM 1034 C LEU A 664 -6.669 1.597 0.731 1.00 13.53 C ATOM 1035 O LEU A 664 -5.910 2.030 -0.136 1.00 21.11 O ATOM 1036 CB LEU A 664 -7.278 -0.771 1.258 1.00 5.15 C ATOM 1037 CG LEU A 664 -6.656 -2.147 1.019 1.00 22.24 C ATOM 1038 CD1 LEU A 664 -5.670 -2.487 2.126 1.00 22.12 C ATOM 1039 CD2 LEU A 664 -7.739 -3.212 0.922 1.00 43.12 C ATOM 0 H LEU A 664 -6.829 0.023 3.551 1.00 20.32 H new ATOM 0 HA LEU A 664 -5.293 0.055 1.270 1.00 22.40 H new ATOM 0 HB2 LEU A 664 -7.974 -0.849 2.093 1.00 5.15 H new ATOM 0 HB3 LEU A 664 -7.864 -0.501 0.379 1.00 5.15 H new ATOM 0 HG LEU A 664 -6.114 -2.120 0.074 1.00 22.24 H new ATOM 0 HD11 LEU A 664 -5.238 -3.470 1.939 1.00 22.12 H new ATOM 0 HD12 LEU A 664 -4.877 -1.740 2.149 1.00 22.12 H new ATOM 0 HD13 LEU A 664 -6.188 -2.495 3.085 1.00 22.12 H new ATOM 0 HD21 LEU A 664 -7.278 -4.185 0.752 1.00 43.12 H new ATOM 0 HD22 LEU A 664 -8.308 -3.238 1.851 1.00 43.12 H new ATOM 0 HD23 LEU A 664 -8.407 -2.977 0.093 1.00 43.12 H new ATOM 1051 N ARG A 665 -7.841 2.158 1.012 1.00 1.35 N ATOM 1052 CA ARG A 665 -8.313 3.340 0.301 1.00 4.20 C ATOM 1053 C ARG A 665 -7.401 4.535 0.567 1.00 62.55 C ATOM 1054 O ARG A 665 -7.187 5.371 -0.310 1.00 74.03 O ATOM 1055 CB ARG A 665 -9.745 3.676 0.720 1.00 72.33 C ATOM 1056 CG ARG A 665 -10.509 4.485 -0.316 1.00 62.41 C ATOM 1057 CD ARG A 665 -12.007 4.446 -0.059 1.00 11.30 C ATOM 1058 NE ARG A 665 -12.777 4.750 -1.262 1.00 41.23 N ATOM 1059 CZ ARG A 665 -14.050 5.130 -1.244 1.00 62.41 C ATOM 1060 NH1 ARG A 665 -14.692 5.251 -0.091 1.00 12.53 N ATOM 1061 NH2 ARG A 665 -14.682 5.388 -2.381 1.00 55.54 N ATOM 0 H ARG A 665 -8.481 1.813 1.727 1.00 1.35 H new ATOM 0 HA ARG A 665 -8.296 3.121 -0.767 1.00 4.20 H new ATOM 0 HB2 ARG A 665 -10.284 2.749 0.915 1.00 72.33 H new ATOM 0 HB3 ARG A 665 -9.719 4.233 1.657 1.00 72.33 H new ATOM 0 HG2 ARG A 665 -10.163 5.518 -0.300 1.00 62.41 H new ATOM 0 HG3 ARG A 665 -10.299 4.094 -1.312 1.00 62.41 H new ATOM 0 HD2 ARG A 665 -12.286 3.459 0.310 1.00 11.30 H new ATOM 0 HD3 ARG A 665 -12.259 5.162 0.723 1.00 11.30 H new ATOM 0 HE ARG A 665 -12.312 4.666 -2.166 1.00 41.23 H new ATOM 0 HH11 ARG A 665 -14.209 5.052 0.785 1.00 12.53 H new ATOM 0 HH12 ARG A 665 -15.669 5.543 -0.080 1.00 12.53 H new ATOM 0 HH21 ARG A 665 -14.191 5.295 -3.270 1.00 55.54 H new ATOM 0 HH22 ARG A 665 -15.659 5.680 -2.366 1.00 55.54 H new ATOM 1075 N GLU A 666 -6.867 4.606 1.782 1.00 42.32 N ATOM 1076 CA GLU A 666 -5.979 5.699 2.162 1.00 14.12 C ATOM 1077 C GLU A 666 -4.871 5.884 1.130 1.00 24.12 C ATOM 1078 O GLU A 666 -4.556 7.007 0.734 1.00 54.11 O ATOM 1079 CB GLU A 666 -5.370 5.434 3.540 1.00 4.23 C ATOM 1080 CG GLU A 666 -5.765 6.461 4.588 1.00 32.35 C ATOM 1081 CD GLU A 666 -5.317 7.864 4.229 1.00 54.11 C ATOM 1082 OE1 GLU A 666 -4.114 8.051 3.953 1.00 11.10 O ATOM 1083 OE2 GLU A 666 -6.171 8.775 4.223 1.00 14.43 O ATOM 0 H GLU A 666 -7.033 3.921 2.519 1.00 42.32 H new ATOM 0 HA GLU A 666 -6.568 6.615 2.203 1.00 14.12 H new ATOM 0 HB2 GLU A 666 -5.677 4.445 3.879 1.00 4.23 H new ATOM 0 HB3 GLU A 666 -4.284 5.418 3.451 1.00 4.23 H new ATOM 0 HG2 GLU A 666 -6.848 6.450 4.712 1.00 32.35 H new ATOM 0 HG3 GLU A 666 -5.332 6.180 5.548 1.00 32.35 H new ATOM 1090 N LEU A 667 -4.281 4.774 0.699 1.00 2.34 N ATOM 1091 CA LEU A 667 -3.206 4.812 -0.286 1.00 51.33 C ATOM 1092 C LEU A 667 -3.739 5.213 -1.658 1.00 52.30 C ATOM 1093 O LEU A 667 -3.065 5.909 -2.417 1.00 30.30 O ATOM 1094 CB LEU A 667 -2.518 3.449 -0.373 1.00 31.33 C ATOM 1095 CG LEU A 667 -2.213 2.765 0.961 1.00 55.03 C ATOM 1096 CD1 LEU A 667 -1.918 1.288 0.748 1.00 10.52 C ATOM 1097 CD2 LEU A 667 -1.046 3.450 1.657 1.00 72.33 C ATOM 0 H LEU A 667 -4.529 3.837 1.016 1.00 2.34 H new ATOM 0 HA LEU A 667 -2.480 5.559 0.035 1.00 51.33 H new ATOM 0 HB2 LEU A 667 -3.147 2.784 -0.964 1.00 31.33 H new ATOM 0 HB3 LEU A 667 -1.582 3.571 -0.918 1.00 31.33 H new ATOM 0 HG LEU A 667 -3.091 2.850 1.601 1.00 55.03 H new ATOM 0 HD11 LEU A 667 -1.703 0.818 1.708 1.00 10.52 H new ATOM 0 HD12 LEU A 667 -2.783 0.806 0.293 1.00 10.52 H new ATOM 0 HD13 LEU A 667 -1.056 1.180 0.090 1.00 10.52 H new ATOM 0 HD21 LEU A 667 -0.843 2.950 2.604 1.00 72.33 H new ATOM 0 HD22 LEU A 667 -0.162 3.397 1.022 1.00 72.33 H new ATOM 0 HD23 LEU A 667 -1.296 4.494 1.844 1.00 72.33 H new ATOM 1109 N GLU A 668 -4.954 4.771 -1.967 1.00 53.54 N ATOM 1110 CA GLU A 668 -5.578 5.086 -3.247 1.00 42.24 C ATOM 1111 C GLU A 668 -5.820 6.587 -3.380 1.00 75.10 C ATOM 1112 O GLU A 668 -5.753 7.143 -4.476 1.00 74.35 O ATOM 1113 CB GLU A 668 -6.900 4.330 -3.396 1.00 25.32 C ATOM 1114 CG GLU A 668 -7.488 4.402 -4.795 1.00 33.44 C ATOM 1115 CD GLU A 668 -8.228 5.700 -5.050 1.00 51.32 C ATOM 1116 OE1 GLU A 668 -8.542 6.407 -4.069 1.00 24.30 O ATOM 1117 OE2 GLU A 668 -8.494 6.010 -6.230 1.00 42.22 O ATOM 0 H GLU A 668 -5.525 4.194 -1.349 1.00 53.54 H new ATOM 0 HA GLU A 668 -4.898 4.773 -4.040 1.00 42.24 H new ATOM 0 HB2 GLU A 668 -6.743 3.285 -3.130 1.00 25.32 H new ATOM 0 HB3 GLU A 668 -7.622 4.734 -2.686 1.00 25.32 H new ATOM 0 HG2 GLU A 668 -6.688 4.294 -5.527 1.00 33.44 H new ATOM 0 HG3 GLU A 668 -8.170 3.564 -4.942 1.00 33.44 H new ATOM 1124 N ARG A 669 -6.103 7.236 -2.255 1.00 52.35 N ATOM 1125 CA ARG A 669 -6.358 8.672 -2.245 1.00 61.35 C ATOM 1126 C ARG A 669 -5.065 9.455 -2.452 1.00 25.31 C ATOM 1127 O ARG A 669 -5.071 10.543 -3.027 1.00 11.52 O ATOM 1128 CB ARG A 669 -7.012 9.086 -0.926 1.00 73.02 C ATOM 1129 CG ARG A 669 -8.462 9.518 -1.075 1.00 1.11 C ATOM 1130 CD ARG A 669 -9.279 9.161 0.157 1.00 2.11 C ATOM 1131 NE ARG A 669 -8.852 9.914 1.334 1.00 71.33 N ATOM 1132 CZ ARG A 669 -9.185 11.180 1.557 1.00 54.13 C ATOM 1133 NH1 ARG A 669 -9.946 11.832 0.688 1.00 70.30 N ATOM 1134 NH2 ARG A 669 -8.758 11.797 2.651 1.00 11.00 N ATOM 0 H ARG A 669 -6.161 6.791 -1.339 1.00 52.35 H new ATOM 0 HA ARG A 669 -7.037 8.901 -3.067 1.00 61.35 H new ATOM 0 HB2 ARG A 669 -6.960 8.251 -0.227 1.00 73.02 H new ATOM 0 HB3 ARG A 669 -6.441 9.905 -0.488 1.00 73.02 H new ATOM 0 HG2 ARG A 669 -8.507 10.594 -1.243 1.00 1.11 H new ATOM 0 HG3 ARG A 669 -8.897 9.040 -1.953 1.00 1.11 H new ATOM 0 HD2 ARG A 669 -10.333 9.359 -0.037 1.00 2.11 H new ATOM 0 HD3 ARG A 669 -9.187 8.093 0.356 1.00 2.11 H new ATOM 0 HE ARG A 669 -8.266 9.441 2.022 1.00 71.33 H new ATOM 0 HH11 ARG A 669 -10.277 11.361 -0.154 1.00 70.30 H new ATOM 0 HH12 ARG A 669 -10.200 12.804 0.862 1.00 70.30 H new ATOM 0 HH21 ARG A 669 -8.173 11.299 3.322 1.00 11.00 H new ATOM 0 HH22 ARG A 669 -9.014 12.769 2.821 1.00 11.00 H new ATOM 1148 N TYR A 670 -3.958 8.893 -1.979 1.00 5.42 N ATOM 1149 CA TYR A 670 -2.657 9.540 -2.109 1.00 11.04 C ATOM 1150 C TYR A 670 -2.036 9.246 -3.471 1.00 22.54 C ATOM 1151 O TYR A 670 -1.374 10.099 -4.062 1.00 21.32 O ATOM 1152 CB TYR A 670 -1.718 9.072 -0.995 1.00 51.44 C ATOM 1153 CG TYR A 670 -1.765 9.942 0.241 1.00 64.50 C ATOM 1154 CD1 TYR A 670 -2.937 10.078 0.975 1.00 61.55 C ATOM 1155 CD2 TYR A 670 -0.637 10.627 0.675 1.00 11.40 C ATOM 1156 CE1 TYR A 670 -2.985 10.871 2.104 1.00 5.14 C ATOM 1157 CE2 TYR A 670 -0.675 11.422 1.804 1.00 31.25 C ATOM 1158 CZ TYR A 670 -1.851 11.541 2.516 1.00 61.34 C ATOM 1159 OH TYR A 670 -1.893 12.332 3.640 1.00 12.34 O ATOM 0 H TYR A 670 -3.935 7.991 -1.502 1.00 5.42 H new ATOM 0 HA TYR A 670 -2.804 10.617 -2.022 1.00 11.04 H new ATOM 0 HB2 TYR A 670 -1.976 8.049 -0.719 1.00 51.44 H new ATOM 0 HB3 TYR A 670 -0.697 9.052 -1.376 1.00 51.44 H new ATOM 0 HD1 TYR A 670 -3.826 9.554 0.657 1.00 61.55 H new ATOM 0 HD2 TYR A 670 0.285 10.536 0.120 1.00 11.40 H new ATOM 0 HE1 TYR A 670 -3.905 10.967 2.662 1.00 5.14 H new ATOM 0 HE2 TYR A 670 0.211 11.948 2.128 1.00 31.25 H new ATOM 0 HH TYR A 670 -1.011 12.731 3.792 1.00 12.34 H new ATOM 1169 N VAL A 671 -2.255 8.030 -3.963 1.00 42.53 N ATOM 1170 CA VAL A 671 -1.719 7.622 -5.256 1.00 61.22 C ATOM 1171 C VAL A 671 -2.504 8.253 -6.401 1.00 22.23 C ATOM 1172 O VAL A 671 -1.951 8.542 -7.463 1.00 34.12 O ATOM 1173 CB VAL A 671 -1.743 6.090 -5.415 1.00 20.01 C ATOM 1174 CG1 VAL A 671 -3.149 5.609 -5.738 1.00 71.54 C ATOM 1175 CG2 VAL A 671 -0.760 5.651 -6.489 1.00 62.43 C ATOM 0 H VAL A 671 -2.799 7.311 -3.486 1.00 42.53 H new ATOM 0 HA VAL A 671 -0.686 7.968 -5.294 1.00 61.22 H new ATOM 0 HB VAL A 671 -1.439 5.639 -4.471 1.00 20.01 H new ATOM 0 HG11 VAL A 671 -3.147 4.524 -5.847 1.00 71.54 H new ATOM 0 HG12 VAL A 671 -3.825 5.891 -4.930 1.00 71.54 H new ATOM 0 HG13 VAL A 671 -3.485 6.066 -6.669 1.00 71.54 H new ATOM 0 HG21 VAL A 671 -0.790 4.566 -6.588 1.00 62.43 H new ATOM 0 HG22 VAL A 671 -1.031 6.110 -7.440 1.00 62.43 H new ATOM 0 HG23 VAL A 671 0.247 5.962 -6.210 1.00 62.43 H new ATOM 1185 N THR A 672 -3.797 8.465 -6.178 1.00 12.11 N ATOM 1186 CA THR A 672 -4.659 9.061 -7.190 1.00 54.43 C ATOM 1187 C THR A 672 -4.489 10.576 -7.235 1.00 34.44 C ATOM 1188 O THR A 672 -4.601 11.192 -8.295 1.00 20.55 O ATOM 1189 CB THR A 672 -6.141 8.730 -6.932 1.00 74.11 C ATOM 1190 OG1 THR A 672 -6.344 7.314 -6.992 1.00 73.34 O ATOM 1191 CG2 THR A 672 -7.036 9.419 -7.952 1.00 4.35 C ATOM 0 H THR A 672 -4.270 8.233 -5.305 1.00 12.11 H new ATOM 0 HA THR A 672 -4.361 8.636 -8.148 1.00 54.43 H new ATOM 0 HB THR A 672 -6.403 9.093 -5.938 1.00 74.11 H new ATOM 0 HG1 THR A 672 -5.970 6.896 -6.189 1.00 73.34 H new ATOM 0 HG21 THR A 672 -8.078 9.170 -7.749 1.00 4.35 H new ATOM 0 HG22 THR A 672 -6.901 10.498 -7.884 1.00 4.35 H new ATOM 0 HG23 THR A 672 -6.771 9.083 -8.954 1.00 4.35 H new ATOM 1199 N SER A 673 -4.218 11.170 -6.077 1.00 52.22 N ATOM 1200 CA SER A 673 -4.036 12.614 -5.984 1.00 23.12 C ATOM 1201 C SER A 673 -2.744 13.044 -6.672 1.00 23.20 C ATOM 1202 O SER A 673 -2.663 14.133 -7.241 1.00 55.11 O ATOM 1203 CB SER A 673 -4.017 13.053 -4.518 1.00 41.14 C ATOM 1204 OG SER A 673 -3.985 14.466 -4.410 1.00 24.33 O ATOM 0 H SER A 673 -4.120 10.674 -5.191 1.00 52.22 H new ATOM 0 HA SER A 673 -4.874 13.095 -6.489 1.00 23.12 H new ATOM 0 HB2 SER A 673 -4.899 12.666 -4.008 1.00 41.14 H new ATOM 0 HB3 SER A 673 -3.147 12.627 -4.019 1.00 41.14 H new ATOM 0 HG SER A 673 -3.975 14.722 -3.464 1.00 24.33 H new ATOM 1309 N THR B 389 16.985 3.823 -4.012 1.00 4.55 N ATOM 1310 CA THR B 389 15.636 4.205 -3.615 1.00 72.04 C ATOM 1311 C THR B 389 14.867 3.011 -3.061 1.00 63.11 C ATOM 1312 O THR B 389 15.413 1.915 -2.933 1.00 70.12 O ATOM 1313 CB THR B 389 14.851 4.802 -4.798 1.00 53.05 C ATOM 1314 OG1 THR B 389 15.626 4.707 -5.999 1.00 11.03 O ATOM 1315 CG2 THR B 389 14.495 6.257 -4.533 1.00 33.15 C ATOM 0 HA THR B 389 15.738 4.961 -2.837 1.00 72.04 H new ATOM 0 HB THR B 389 13.928 4.234 -4.915 1.00 53.05 H new ATOM 0 HG1 THR B 389 16.499 4.311 -5.795 1.00 11.03 H new ATOM 0 HG21 THR B 389 13.941 6.657 -5.382 1.00 33.15 H new ATOM 0 HG22 THR B 389 13.880 6.324 -3.635 1.00 33.15 H new ATOM 0 HG23 THR B 389 15.408 6.835 -4.391 1.00 33.15 H new ATOM 1323 N TRP B 390 13.599 3.230 -2.735 1.00 32.15 N ATOM 1324 CA TRP B 390 12.755 2.170 -2.194 1.00 51.12 C ATOM 1325 C TRP B 390 12.414 1.144 -3.269 1.00 64.03 C ATOM 1326 O TRP B 390 12.424 1.454 -4.461 1.00 31.52 O ATOM 1327 CB TRP B 390 11.470 2.761 -1.610 1.00 65.52 C ATOM 1328 CG TRP B 390 11.559 3.037 -0.140 1.00 11.32 C ATOM 1329 CD1 TRP B 390 12.261 4.041 0.464 1.00 21.24 C ATOM 1330 CD2 TRP B 390 10.925 2.300 0.911 1.00 73.33 C ATOM 1331 NE1 TRP B 390 12.102 3.971 1.827 1.00 15.45 N ATOM 1332 CE2 TRP B 390 11.286 2.913 2.127 1.00 75.34 C ATOM 1333 CE3 TRP B 390 10.086 1.183 0.943 1.00 75.24 C ATOM 1334 CZ2 TRP B 390 10.836 2.444 3.358 1.00 25.32 C ATOM 1335 CZ3 TRP B 390 9.641 0.718 2.166 1.00 40.42 C ATOM 1336 CH2 TRP B 390 10.016 1.348 3.360 1.00 42.42 C ATOM 0 H TRP B 390 13.132 4.131 -2.835 1.00 32.15 H new ATOM 0 HA TRP B 390 13.309 1.668 -1.401 1.00 51.12 H new ATOM 0 HB2 TRP B 390 11.234 3.688 -2.133 1.00 65.52 H new ATOM 0 HB3 TRP B 390 10.645 2.072 -1.794 1.00 65.52 H new ATOM 0 HD1 TRP B 390 12.854 4.781 -0.053 1.00 21.24 H new ATOM 0 HE1 TRP B 390 12.524 4.605 2.506 1.00 15.45 H new ATOM 0 HE3 TRP B 390 9.790 0.692 0.028 1.00 75.24 H new ATOM 0 HZ2 TRP B 390 11.124 2.928 4.280 1.00 25.32 H new ATOM 0 HZ3 TRP B 390 8.993 -0.145 2.202 1.00 40.42 H new ATOM 0 HH2 TRP B 390 9.651 0.961 4.300 1.00 42.42 H new ATOM 1347 N ARG B 391 12.114 -0.078 -2.841 1.00 51.22 N ATOM 1348 CA ARG B 391 11.771 -1.149 -3.768 1.00 63.44 C ATOM 1349 C ARG B 391 10.430 -1.778 -3.401 1.00 64.30 C ATOM 1350 O ARG B 391 9.894 -1.534 -2.320 1.00 73.43 O ATOM 1351 CB ARG B 391 12.865 -2.219 -3.771 1.00 73.32 C ATOM 1352 CG ARG B 391 12.842 -3.117 -2.545 1.00 10.44 C ATOM 1353 CD ARG B 391 14.038 -4.055 -2.519 1.00 20.41 C ATOM 1354 NE ARG B 391 13.860 -5.194 -3.416 1.00 52.45 N ATOM 1355 CZ ARG B 391 14.717 -6.205 -3.500 1.00 42.22 C ATOM 1356 NH1 ARG B 391 15.806 -6.219 -2.744 1.00 62.21 N ATOM 1357 NH2 ARG B 391 14.486 -7.205 -4.341 1.00 54.42 N ATOM 0 H ARG B 391 12.102 -0.351 -1.858 1.00 51.22 H new ATOM 0 HA ARG B 391 11.689 -0.719 -4.766 1.00 63.44 H new ATOM 0 HB2 ARG B 391 12.757 -2.835 -4.664 1.00 73.32 H new ATOM 0 HB3 ARG B 391 13.838 -1.732 -3.836 1.00 73.32 H new ATOM 0 HG2 ARG B 391 12.839 -2.504 -1.644 1.00 10.44 H new ATOM 0 HG3 ARG B 391 11.921 -3.700 -2.537 1.00 10.44 H new ATOM 0 HD2 ARG B 391 14.935 -3.506 -2.804 1.00 20.41 H new ATOM 0 HD3 ARG B 391 14.194 -4.415 -1.502 1.00 20.41 H new ATOM 0 HE ARG B 391 13.032 -5.214 -4.011 1.00 52.45 H new ATOM 0 HH11 ARG B 391 15.987 -5.452 -2.096 1.00 62.21 H new ATOM 0 HH12 ARG B 391 16.463 -6.997 -2.810 1.00 62.21 H new ATOM 0 HH21 ARG B 391 13.649 -7.198 -4.924 1.00 54.42 H new ATOM 0 HH22 ARG B 391 15.145 -7.981 -4.404 1.00 54.42 H new ATOM 1371 N VAL B 392 9.894 -2.589 -4.308 1.00 42.42 N ATOM 1372 CA VAL B 392 8.617 -3.253 -4.080 1.00 14.02 C ATOM 1373 C VAL B 392 8.540 -4.572 -4.840 1.00 74.11 C ATOM 1374 O VAL B 392 9.077 -4.697 -5.940 1.00 73.33 O ATOM 1375 CB VAL B 392 7.436 -2.359 -4.503 1.00 73.41 C ATOM 1376 CG1 VAL B 392 6.124 -3.123 -4.399 1.00 1.55 C ATOM 1377 CG2 VAL B 392 7.395 -1.095 -3.658 1.00 62.02 C ATOM 0 H VAL B 392 10.325 -2.802 -5.208 1.00 42.42 H new ATOM 0 HA VAL B 392 8.549 -3.449 -3.010 1.00 14.02 H new ATOM 0 HB VAL B 392 7.578 -2.068 -5.544 1.00 73.41 H new ATOM 0 HG11 VAL B 392 5.301 -2.476 -4.702 1.00 1.55 H new ATOM 0 HG12 VAL B 392 6.158 -3.995 -5.051 1.00 1.55 H new ATOM 0 HG13 VAL B 392 5.972 -3.446 -3.369 1.00 1.55 H new ATOM 0 HG21 VAL B 392 6.555 -0.475 -3.971 1.00 62.02 H new ATOM 0 HG22 VAL B 392 7.277 -1.363 -2.608 1.00 62.02 H new ATOM 0 HG23 VAL B 392 8.324 -0.540 -3.789 1.00 62.02 H new ATOM 1387 N GLN B 393 7.868 -5.553 -4.246 1.00 13.11 N ATOM 1388 CA GLN B 393 7.721 -6.864 -4.868 1.00 14.51 C ATOM 1389 C GLN B 393 6.505 -7.597 -4.311 1.00 54.24 C ATOM 1390 O GLN B 393 6.437 -7.890 -3.118 1.00 24.52 O ATOM 1391 CB GLN B 393 8.981 -7.701 -4.646 1.00 44.14 C ATOM 1392 CG GLN B 393 9.404 -7.791 -3.189 1.00 11.31 C ATOM 1393 CD GLN B 393 10.703 -7.060 -2.912 1.00 21.32 C ATOM 1394 OE1 GLN B 393 11.587 -6.997 -3.766 1.00 44.23 O ATOM 1395 NE2 GLN B 393 10.825 -6.504 -1.712 1.00 44.45 N ATOM 0 H GLN B 393 7.417 -5.465 -3.335 1.00 13.11 H new ATOM 0 HA GLN B 393 7.575 -6.716 -5.938 1.00 14.51 H new ATOM 0 HB2 GLN B 393 8.811 -8.707 -5.029 1.00 44.14 H new ATOM 0 HB3 GLN B 393 9.798 -7.273 -5.227 1.00 44.14 H new ATOM 0 HG2 GLN B 393 8.617 -7.376 -2.560 1.00 11.31 H new ATOM 0 HG3 GLN B 393 9.515 -8.839 -2.911 1.00 11.31 H new ATOM 0 HE21 GLN B 393 10.066 -6.581 -1.035 1.00 44.45 H new ATOM 0 HE22 GLN B 393 11.677 -6.000 -1.468 1.00 44.45 H new ATOM 1404 N ARG B 394 5.546 -7.889 -5.184 1.00 33.21 N ATOM 1405 CA ARG B 394 4.331 -8.587 -4.779 1.00 42.21 C ATOM 1406 C ARG B 394 4.631 -10.041 -4.427 1.00 61.14 C ATOM 1407 O ARG B 394 5.745 -10.523 -4.633 1.00 2.34 O ATOM 1408 CB ARG B 394 3.287 -8.526 -5.895 1.00 15.21 C ATOM 1409 CG ARG B 394 3.081 -7.130 -6.461 1.00 61.32 C ATOM 1410 CD ARG B 394 3.787 -6.962 -7.797 1.00 44.23 C ATOM 1411 NE ARG B 394 2.846 -6.924 -8.913 1.00 71.22 N ATOM 1412 CZ ARG B 394 3.144 -6.431 -10.110 1.00 1.31 C ATOM 1413 NH1 ARG B 394 4.352 -5.936 -10.345 1.00 33.33 N ATOM 1414 NH2 ARG B 394 2.233 -6.432 -11.075 1.00 3.30 N ATOM 0 H ARG B 394 5.587 -7.653 -6.176 1.00 33.21 H new ATOM 0 HA ARG B 394 3.935 -8.091 -3.893 1.00 42.21 H new ATOM 0 HB2 ARG B 394 3.590 -9.195 -6.701 1.00 15.21 H new ATOM 0 HB3 ARG B 394 2.336 -8.898 -5.512 1.00 15.21 H new ATOM 0 HG2 ARG B 394 2.015 -6.940 -6.585 1.00 61.32 H new ATOM 0 HG3 ARG B 394 3.457 -6.390 -5.754 1.00 61.32 H new ATOM 0 HD2 ARG B 394 4.372 -6.042 -7.785 1.00 44.23 H new ATOM 0 HD3 ARG B 394 4.488 -7.784 -7.942 1.00 44.23 H new ATOM 0 HE ARG B 394 1.908 -7.297 -8.765 1.00 71.22 H new ATOM 0 HH11 ARG B 394 5.055 -5.933 -9.606 1.00 33.33 H new ATOM 0 HH12 ARG B 394 4.578 -5.558 -11.265 1.00 33.33 H new ATOM 0 HH21 ARG B 394 1.303 -6.812 -10.898 1.00 3.30 H new ATOM 0 HH22 ARG B 394 2.463 -6.053 -11.994 1.00 3.30 H new ATOM 1428 N SER B 395 3.629 -10.735 -3.896 1.00 44.23 N ATOM 1429 CA SER B 395 3.787 -12.133 -3.512 1.00 10.41 C ATOM 1430 C SER B 395 2.659 -12.984 -4.087 1.00 23.42 C ATOM 1431 O SER B 395 1.852 -12.507 -4.883 1.00 72.24 O ATOM 1432 CB SER B 395 3.815 -12.264 -1.988 1.00 31.40 C ATOM 1433 OG SER B 395 4.674 -13.316 -1.583 1.00 31.03 O ATOM 0 H SER B 395 2.700 -10.352 -3.722 1.00 44.23 H new ATOM 0 HA SER B 395 4.733 -12.492 -3.918 1.00 10.41 H new ATOM 0 HB2 SER B 395 4.150 -11.326 -1.545 1.00 31.40 H new ATOM 0 HB3 SER B 395 2.807 -12.450 -1.617 1.00 31.40 H new ATOM 0 HG SER B 395 4.676 -13.378 -0.605 1.00 31.03 H new ATOM 1439 N GLN B 396 2.612 -14.248 -3.676 1.00 43.33 N ATOM 1440 CA GLN B 396 1.585 -15.167 -4.151 1.00 14.22 C ATOM 1441 C GLN B 396 0.193 -14.668 -3.776 1.00 50.31 C ATOM 1442 O GLN B 396 -0.786 -14.959 -4.461 1.00 54.53 O ATOM 1443 CB GLN B 396 1.812 -16.563 -3.570 1.00 20.42 C ATOM 1444 CG GLN B 396 1.585 -16.642 -2.069 1.00 24.33 C ATOM 1445 CD GLN B 396 0.141 -16.932 -1.711 1.00 11.20 C ATOM 1446 OE1 GLN B 396 -0.678 -17.232 -2.580 1.00 41.24 O ATOM 1447 NE2 GLN B 396 -0.180 -16.843 -0.426 1.00 20.45 N ATOM 0 H GLN B 396 3.273 -14.658 -3.016 1.00 43.33 H new ATOM 0 HA GLN B 396 1.653 -15.218 -5.238 1.00 14.22 H new ATOM 0 HB2 GLN B 396 1.145 -17.267 -4.067 1.00 20.42 H new ATOM 0 HB3 GLN B 396 2.832 -16.878 -3.792 1.00 20.42 H new ATOM 0 HG2 GLN B 396 2.223 -17.420 -1.650 1.00 24.33 H new ATOM 0 HG3 GLN B 396 1.887 -15.701 -1.610 1.00 24.33 H new ATOM 0 HE21 GLN B 396 0.531 -16.591 0.261 1.00 20.45 H new ATOM 0 HE22 GLN B 396 -1.137 -17.026 -0.126 1.00 20.45 H new ATOM 1456 N ASN B 397 0.114 -13.915 -2.683 1.00 71.15 N ATOM 1457 CA ASN B 397 -1.159 -13.376 -2.217 1.00 65.30 C ATOM 1458 C ASN B 397 -1.931 -12.735 -3.365 1.00 53.54 C ATOM 1459 O ASN B 397 -1.387 -12.456 -4.434 1.00 4.02 O ATOM 1460 CB ASN B 397 -0.925 -12.349 -1.108 1.00 10.24 C ATOM 1461 CG ASN B 397 -1.336 -12.868 0.257 1.00 44.11 C ATOM 1462 OD1 ASN B 397 -2.216 -12.305 0.908 1.00 23.23 O ATOM 1463 ND2 ASN B 397 -0.698 -13.947 0.696 1.00 43.32 N ATOM 0 H ASN B 397 0.916 -13.665 -2.104 1.00 71.15 H new ATOM 0 HA ASN B 397 -1.752 -14.200 -1.821 1.00 65.30 H new ATOM 0 HB2 ASN B 397 0.130 -12.075 -1.087 1.00 10.24 H new ATOM 0 HB3 ASN B 397 -1.486 -11.442 -1.333 1.00 10.24 H new ATOM 0 HD21 ASN B 397 -0.931 -14.342 1.607 1.00 43.32 H new ATOM 0 HD22 ASN B 397 0.025 -14.381 0.122 1.00 43.32 H new ATOM 1470 N PRO B 398 -3.232 -12.493 -3.142 1.00 24.24 N ATOM 1471 CA PRO B 398 -4.107 -11.880 -4.145 1.00 71.51 C ATOM 1472 C PRO B 398 -3.775 -10.412 -4.385 1.00 10.31 C ATOM 1473 O PRO B 398 -4.159 -9.836 -5.404 1.00 65.22 O ATOM 1474 CB PRO B 398 -5.502 -12.020 -3.531 1.00 53.01 C ATOM 1475 CG PRO B 398 -5.264 -12.094 -2.062 1.00 72.24 C ATOM 1476 CD PRO B 398 -3.947 -12.799 -1.892 1.00 31.35 C ATOM 0 HA PRO B 398 -4.006 -12.356 -5.120 1.00 71.51 H new ATOM 0 HB2 PRO B 398 -6.134 -11.170 -3.787 1.00 53.01 H new ATOM 0 HB3 PRO B 398 -6.007 -12.914 -3.896 1.00 53.01 H new ATOM 0 HG2 PRO B 398 -5.233 -11.098 -1.621 1.00 72.24 H new ATOM 0 HG3 PRO B 398 -6.066 -12.639 -1.564 1.00 72.24 H new ATOM 0 HD2 PRO B 398 -3.405 -12.434 -1.020 1.00 31.35 H new ATOM 0 HD3 PRO B 398 -4.080 -13.872 -1.758 1.00 31.35 H new ATOM 1484 N LEU B 399 -3.060 -9.810 -3.441 1.00 0.02 N ATOM 1485 CA LEU B 399 -2.675 -8.407 -3.550 1.00 14.03 C ATOM 1486 C LEU B 399 -1.794 -7.991 -2.377 1.00 24.45 C ATOM 1487 O LEU B 399 -2.115 -7.055 -1.645 1.00 35.13 O ATOM 1488 CB LEU B 399 -3.920 -7.519 -3.606 1.00 60.55 C ATOM 1489 CG LEU B 399 -3.865 -6.348 -4.587 1.00 43.33 C ATOM 1490 CD1 LEU B 399 -2.699 -5.429 -4.256 1.00 14.43 C ATOM 1491 CD2 LEU B 399 -3.756 -6.855 -6.018 1.00 52.41 C ATOM 0 H LEU B 399 -2.735 -10.271 -2.591 1.00 0.02 H new ATOM 0 HA LEU B 399 -2.105 -8.283 -4.471 1.00 14.03 H new ATOM 0 HB2 LEU B 399 -4.776 -8.143 -3.864 1.00 60.55 H new ATOM 0 HB3 LEU B 399 -4.104 -7.122 -2.608 1.00 60.55 H new ATOM 0 HG LEU B 399 -4.789 -5.778 -4.494 1.00 43.33 H new ATOM 0 HD11 LEU B 399 -2.676 -4.601 -4.965 1.00 14.43 H new ATOM 0 HD12 LEU B 399 -2.819 -5.038 -3.246 1.00 14.43 H new ATOM 0 HD13 LEU B 399 -1.765 -5.988 -4.320 1.00 14.43 H new ATOM 0 HD21 LEU B 399 -3.718 -6.007 -6.702 1.00 52.41 H new ATOM 0 HD22 LEU B 399 -2.848 -7.449 -6.125 1.00 52.41 H new ATOM 0 HD23 LEU B 399 -4.623 -7.472 -6.252 1.00 52.41 H new ATOM 1503 N LYS B 400 -0.678 -8.692 -2.204 1.00 71.51 N ATOM 1504 CA LYS B 400 0.253 -8.395 -1.122 1.00 64.35 C ATOM 1505 C LYS B 400 1.483 -7.662 -1.649 1.00 54.42 C ATOM 1506 O LYS B 400 2.383 -8.274 -2.225 1.00 11.23 O ATOM 1507 CB LYS B 400 0.679 -9.686 -0.419 1.00 62.24 C ATOM 1508 CG LYS B 400 1.722 -9.473 0.664 1.00 21.21 C ATOM 1509 CD LYS B 400 2.260 -10.794 1.188 1.00 72.31 C ATOM 1510 CE LYS B 400 1.361 -11.372 2.271 1.00 41.15 C ATOM 1511 NZ LYS B 400 2.129 -12.186 3.253 1.00 1.20 N ATOM 0 H LYS B 400 -0.397 -9.470 -2.800 1.00 71.51 H new ATOM 0 HA LYS B 400 -0.255 -7.749 -0.406 1.00 64.35 H new ATOM 0 HB2 LYS B 400 -0.200 -10.157 0.022 1.00 62.24 H new ATOM 0 HB3 LYS B 400 1.074 -10.380 -1.161 1.00 62.24 H new ATOM 0 HG2 LYS B 400 2.543 -8.876 0.267 1.00 21.21 H new ATOM 0 HG3 LYS B 400 1.284 -8.906 1.485 1.00 21.21 H new ATOM 0 HD2 LYS B 400 2.345 -11.505 0.366 1.00 72.31 H new ATOM 0 HD3 LYS B 400 3.264 -10.647 1.587 1.00 72.31 H new ATOM 0 HE2 LYS B 400 0.851 -10.561 2.791 1.00 41.15 H new ATOM 0 HE3 LYS B 400 0.590 -11.990 1.811 1.00 41.15 H new ATOM 0 HZ1 LYS B 400 1.481 -12.562 3.974 1.00 1.20 H new ATOM 0 HZ2 LYS B 400 2.595 -12.975 2.761 1.00 1.20 H new ATOM 0 HZ3 LYS B 400 2.848 -11.590 3.711 1.00 1.20 H new ATOM 1525 N ILE B 401 1.514 -6.349 -1.447 1.00 50.34 N ATOM 1526 CA ILE B 401 2.634 -5.533 -1.900 1.00 62.30 C ATOM 1527 C ILE B 401 3.685 -5.386 -0.804 1.00 55.44 C ATOM 1528 O ILE B 401 3.431 -4.775 0.234 1.00 21.33 O ATOM 1529 CB ILE B 401 2.169 -4.133 -2.342 1.00 21.22 C ATOM 1530 CG1 ILE B 401 0.829 -4.225 -3.075 1.00 45.24 C ATOM 1531 CG2 ILE B 401 3.220 -3.481 -3.227 1.00 44.31 C ATOM 1532 CD1 ILE B 401 -0.366 -3.976 -2.183 1.00 53.52 C ATOM 0 H ILE B 401 0.777 -5.828 -0.973 1.00 50.34 H new ATOM 0 HA ILE B 401 3.073 -6.047 -2.755 1.00 62.30 H new ATOM 0 HB ILE B 401 2.035 -3.514 -1.455 1.00 21.22 H new ATOM 0 HG12 ILE B 401 0.820 -3.502 -3.891 1.00 45.24 H new ATOM 0 HG13 ILE B 401 0.737 -5.214 -3.524 1.00 45.24 H new ATOM 0 HG21 ILE B 401 2.877 -2.492 -3.531 1.00 44.31 H new ATOM 0 HG22 ILE B 401 4.154 -3.386 -2.673 1.00 44.31 H new ATOM 0 HG23 ILE B 401 3.383 -4.096 -4.112 1.00 44.31 H new ATOM 0 HD11 ILE B 401 -1.281 -4.057 -2.770 1.00 53.52 H new ATOM 0 HD12 ILE B 401 -0.382 -4.715 -1.382 1.00 53.52 H new ATOM 0 HD13 ILE B 401 -0.298 -2.976 -1.754 1.00 53.52 H new ATOM 1544 N ARG B 402 4.865 -5.947 -1.045 1.00 0.15 N ATOM 1545 CA ARG B 402 5.955 -5.877 -0.079 1.00 33.25 C ATOM 1546 C ARG B 402 6.877 -4.700 -0.383 1.00 61.54 C ATOM 1547 O ARG B 402 7.654 -4.738 -1.338 1.00 42.04 O ATOM 1548 CB ARG B 402 6.755 -7.181 -0.085 1.00 72.12 C ATOM 1549 CG ARG B 402 7.830 -7.241 0.987 1.00 21.42 C ATOM 1550 CD ARG B 402 7.609 -8.412 1.932 1.00 24.13 C ATOM 1551 NE ARG B 402 8.656 -9.423 1.805 1.00 12.02 N ATOM 1552 CZ ARG B 402 8.664 -10.357 0.861 1.00 62.21 C ATOM 1553 NH1 ARG B 402 7.688 -10.409 -0.034 1.00 54.53 N ATOM 1554 NH2 ARG B 402 9.651 -11.242 0.811 1.00 64.54 N ATOM 0 H ARG B 402 5.091 -6.455 -1.900 1.00 0.15 H new ATOM 0 HA ARG B 402 5.521 -5.730 0.910 1.00 33.25 H new ATOM 0 HB2 ARG B 402 6.070 -8.018 0.052 1.00 72.12 H new ATOM 0 HB3 ARG B 402 7.221 -7.307 -1.062 1.00 72.12 H new ATOM 0 HG2 ARG B 402 8.809 -7.331 0.517 1.00 21.42 H new ATOM 0 HG3 ARG B 402 7.833 -6.310 1.554 1.00 21.42 H new ATOM 0 HD2 ARG B 402 7.579 -8.048 2.959 1.00 24.13 H new ATOM 0 HD3 ARG B 402 6.640 -8.866 1.726 1.00 24.13 H new ATOM 0 HE ARG B 402 9.422 -9.411 2.478 1.00 12.02 H new ATOM 0 HH11 ARG B 402 6.927 -9.730 0.001 1.00 54.53 H new ATOM 0 HH12 ARG B 402 7.697 -11.128 -0.758 1.00 54.53 H new ATOM 0 HH21 ARG B 402 10.404 -11.205 1.498 1.00 64.54 H new ATOM 0 HH22 ARG B 402 9.657 -11.959 0.086 1.00 64.54 H new ATOM 1568 N LEU B 403 6.785 -3.657 0.433 1.00 5.24 N ATOM 1569 CA LEU B 403 7.611 -2.468 0.251 1.00 22.03 C ATOM 1570 C LEU B 403 8.801 -2.480 1.206 1.00 52.10 C ATOM 1571 O LEU B 403 8.660 -2.796 2.388 1.00 52.20 O ATOM 1572 CB LEU B 403 6.777 -1.205 0.473 1.00 3.11 C ATOM 1573 CG LEU B 403 5.910 -0.758 -0.704 1.00 45.44 C ATOM 1574 CD1 LEU B 403 5.361 -1.963 -1.451 1.00 35.23 C ATOM 1575 CD2 LEU B 403 4.777 0.137 -0.223 1.00 61.50 C ATOM 0 H LEU B 403 6.147 -3.610 1.227 1.00 5.24 H new ATOM 0 HA LEU B 403 7.989 -2.471 -0.771 1.00 22.03 H new ATOM 0 HB2 LEU B 403 6.129 -1.368 1.334 1.00 3.11 H new ATOM 0 HB3 LEU B 403 7.452 -0.389 0.732 1.00 3.11 H new ATOM 0 HG LEU B 403 6.532 -0.184 -1.391 1.00 45.44 H new ATOM 0 HD11 LEU B 403 4.746 -1.625 -2.285 1.00 35.23 H new ATOM 0 HD12 LEU B 403 6.188 -2.564 -1.830 1.00 35.23 H new ATOM 0 HD13 LEU B 403 4.755 -2.565 -0.774 1.00 35.23 H new ATOM 0 HD21 LEU B 403 4.170 0.445 -1.074 1.00 61.50 H new ATOM 0 HD22 LEU B 403 4.156 -0.411 0.485 1.00 61.50 H new ATOM 0 HD23 LEU B 403 5.192 1.019 0.265 1.00 61.50 H new ATOM 1587 N THR B 404 9.974 -2.132 0.686 1.00 12.52 N ATOM 1588 CA THR B 404 11.188 -2.101 1.492 1.00 51.12 C ATOM 1589 C THR B 404 12.166 -1.053 0.973 1.00 71.23 C ATOM 1590 O THR B 404 12.249 -0.810 -0.231 1.00 71.44 O ATOM 1591 CB THR B 404 11.886 -3.474 1.509 1.00 74.12 C ATOM 1592 OG1 THR B 404 12.459 -3.748 0.226 1.00 73.45 O ATOM 1593 CG2 THR B 404 10.903 -4.576 1.877 1.00 42.31 C ATOM 0 H THR B 404 10.109 -1.868 -0.290 1.00 12.52 H new ATOM 0 HA THR B 404 10.887 -1.842 2.507 1.00 51.12 H new ATOM 0 HB THR B 404 12.675 -3.447 2.260 1.00 74.12 H new ATOM 0 HG1 THR B 404 12.902 -4.622 0.246 1.00 73.45 H new ATOM 0 HG21 THR B 404 11.418 -5.536 1.883 1.00 42.31 H new ATOM 0 HG22 THR B 404 10.490 -4.380 2.867 1.00 42.31 H new ATOM 0 HG23 THR B 404 10.095 -4.602 1.146 1.00 42.31 H new ATOM 1601 N ARG B 405 12.905 -0.435 1.888 1.00 22.52 N ATOM 1602 CA ARG B 405 13.878 0.587 1.522 1.00 13.10 C ATOM 1603 C ARG B 405 14.803 0.087 0.417 1.00 72.45 C ATOM 1604 O ARG B 405 16.022 0.239 0.498 1.00 73.44 O ATOM 1605 CB ARG B 405 14.701 0.998 2.744 1.00 45.53 C ATOM 1606 CG ARG B 405 13.959 1.921 3.697 1.00 72.15 C ATOM 1607 CD ARG B 405 14.829 2.317 4.879 1.00 14.33 C ATOM 1608 NE ARG B 405 16.244 2.368 4.525 1.00 44.12 N ATOM 1609 CZ ARG B 405 16.787 3.344 3.806 1.00 45.12 C ATOM 1610 NH1 ARG B 405 16.037 4.345 3.367 1.00 1.45 N ATOM 1611 NH2 ARG B 405 18.084 3.320 3.524 1.00 10.04 N ATOM 0 H ARG B 405 12.848 -0.624 2.889 1.00 22.52 H new ATOM 0 HA ARG B 405 13.333 1.455 1.150 1.00 13.10 H new ATOM 0 HB2 ARG B 405 15.006 0.102 3.284 1.00 45.53 H new ATOM 0 HB3 ARG B 405 15.612 1.493 2.408 1.00 45.53 H new ATOM 0 HG2 ARG B 405 13.639 2.816 3.163 1.00 72.15 H new ATOM 0 HG3 ARG B 405 13.057 1.425 4.057 1.00 72.15 H new ATOM 0 HD2 ARG B 405 14.513 3.292 5.251 1.00 14.33 H new ATOM 0 HD3 ARG B 405 14.684 1.604 5.691 1.00 14.33 H new ATOM 0 HE ARG B 405 16.849 1.613 4.847 1.00 44.12 H new ATOM 0 HH11 ARG B 405 15.040 4.367 3.581 1.00 1.45 H new ATOM 0 HH12 ARG B 405 16.457 5.093 2.815 1.00 1.45 H new ATOM 0 HH21 ARG B 405 18.665 2.552 3.860 1.00 10.04 H new ATOM 0 HH22 ARG B 405 18.500 4.070 2.972 1.00 10.04 H new